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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:34 UTC
HMDB IDHMDB0014327
Secondary Accession Numbers
  • HMDB14327
Metabolite Identification
Common NameBaclofen
DescriptionBaclofen is a gamma-amino-butyric acid (GABA) derivative used as a skeletal muscle relaxant. Baclofen stimulates GABA-B receptors leading to decreased frequency and amplitude of muscle spasms. It is especially useful in treating muscle spasticity associated with spinal cord injury. It appears to act primarily at the spinal cord level by inhibiting spinal polysynaptic afferent pathways and, to a lesser extent, monosynaptic afferent pathways.
Structure
Data?1582753165
Synonyms
ValueSource
(+-)-BaclofenChEBI
4-Amino-3-(4-chlorophenyl)butyric acidChEBI
BaclofeneChEBI
BaclofenoChEBI
BaclofenumChEBI
beta-(4-Chlorophenyl)gabaChEBI
beta-(Aminomethyl)-4-chlorobenzenepropanoic acidChEBI
beta-(Aminomethyl)-p-chlorohydrocinnamic acidChEBI
beta-(p-Chlorophenyl)-gamma-aminobutyric acidChEBI
DL-4-Amino-3-p-chlorophenylbutanoic acidChEBI
DL-BaclofenChEBI
gamma-Amino-beta-(p-chlorophenyl)butyric acidChEBI
KemstroKegg
LioresalKegg
4-Amino-3-(4-chlorophenyl)butyrateGenerator
b-(4-Chlorophenyl)gabaGenerator
Β-(4-chlorophenyl)gabaGenerator
b-(Aminomethyl)-4-chlorobenzenepropanoateGenerator
b-(Aminomethyl)-4-chlorobenzenepropanoic acidGenerator
beta-(Aminomethyl)-4-chlorobenzenepropanoateGenerator
Β-(aminomethyl)-4-chlorobenzenepropanoateGenerator
Β-(aminomethyl)-4-chlorobenzenepropanoic acidGenerator
b-(Aminomethyl)-p-chlorohydrocinnamateGenerator
b-(Aminomethyl)-p-chlorohydrocinnamic acidGenerator
beta-(Aminomethyl)-p-chlorohydrocinnamateGenerator
Β-(aminomethyl)-p-chlorohydrocinnamateGenerator
Β-(aminomethyl)-p-chlorohydrocinnamic acidGenerator
b-(p-Chlorophenyl)-g-aminobutyrateGenerator
b-(p-Chlorophenyl)-g-aminobutyric acidGenerator
beta-(p-Chlorophenyl)-gamma-aminobutyrateGenerator
Β-(p-chlorophenyl)-γ-aminobutyrateGenerator
Β-(p-chlorophenyl)-γ-aminobutyric acidGenerator
DL-4-Amino-3-p-chlorophenylbutanoateGenerator
g-Amino-b-(p-chlorophenyl)butyrateGenerator
g-Amino-b-(p-chlorophenyl)butyric acidGenerator
gamma-Amino-beta-(p-chlorophenyl)butyrateGenerator
Γ-amino-β-(p-chlorophenyl)butyrateGenerator
Γ-amino-β-(p-chlorophenyl)butyric acidGenerator
ASTA medica brand OF baclofenMeSH, HMDB
Alphapharm brand OF baclofenMeSH, HMDB
Ashbourne brand OF baclofenMeSH, HMDB
Baclofen athena brandMeSH, HMDB
Baclofen irex brandMeSH, HMDB
BaclospasMeSH, HMDB
Chlorophenyl gabaMeSH, HMDB
Ciba geigy brand OF baclofenMeSH, HMDB
Gen baclofenMeSH, HMDB
GenBaclofenMeSH, HMDB
Isis brand OF baclofenMeSH, HMDB
PCP-GABAMeSH, HMDB
AWD, baclofenMeSH, HMDB
Athena brand OF baclofenMeSH, HMDB
AtrofenMeSH, HMDB
Baclofen apotex brandMeSH, HMDB
Baclofen isis brandMeSH, HMDB
Baclofen medtronic brandMeSH, HMDB
Baclofen nu-pharm brandMeSH, HMDB
Baclofen pharmascience brandMeSH, HMDB
NuBacloMeSH, HMDB
PMS-BaclofenMeSH, HMDB
PMSBaclofenMeSH, HMDB
apo BaclofenMeSH, HMDB
ApoBaclofenMeSH, HMDB
Apotex brand OF baclofenMeSH, HMDB
Baclofen awdMeSH, HMDB
Baclofen ciba-geigy brandMeSH, HMDB
Baclofen novartis brandMeSH, HMDB
Baclofène irexMeSH, HMDB
Baclofène-irexMeSH, HMDB
BaclofèneIrexMeSH, HMDB
CIBA-34,647-baMeSH, HMDB
Gen-baclofenMeSH, HMDB
Irex brand OF baclofenMeSH, HMDB
LebicMeSH, HMDB
Nu bacloMeSH, HMDB
Nu-bacloMeSH, HMDB
Nu-pharm brand OF baclofenMeSH, HMDB
PMS BaclofenMeSH, HMDB
apo-BaclofenMeSH, HMDB
Baclofen alphapharm brandMeSH, HMDB
Baclofen ashbourne brandMeSH, HMDB
BaclophenMeSH, HMDB
CIBA34,647baMeSH, HMDB
Ciba-geigy brand OF baclofenMeSH, HMDB
ClofenMeSH, HMDB
GABA, chlorophenylMeSH, HMDB
GenpharmMeSH, HMDB
Medtronic brand OF baclofenMeSH, HMDB
Novartis brand OF baclofenMeSH, HMDB
Nu pharm brand OF baclofenMeSH, HMDB
Pharmascience brand OF baclofenMeSH, HMDB
Chemical FormulaC10H12ClNO2
Average Molecular Weight213.661
Monoisotopic Molecular Weight213.05565634
IUPAC Name4-amino-3-(4-chlorophenyl)butanoic acid
Traditional Namebaclofen
CAS Registry Number1134-47-0
SMILES
NCC(CC(O)=O)C1=CC=C(Cl)C=C1
InChI Identifier
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChI KeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGamma amino acids and derivatives
Alternative Parents
Substituents
  • Gamma amino acid or derivatives
  • 3-phenylpropanoic-acid
  • Amino fatty acid
  • Chlorobenzene
  • Aralkylamine
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Fatty acyl
  • Benzenoid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organohalogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Amine
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organochloride
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point206 - 208 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.71 g/LNot Available
LogP1.3Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+CBM149.230932474
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.71 g/LALOGPS
logP-0.82ALOGPS
logP-0.78ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.89ChemAxon
pKa (Strongest Basic)9.79ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity54.83 m³·mol⁻¹ChemAxon
Polarizability21.13 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+143.26830932474
DeepCCS[M-H]-140.9130932474
DeepCCS[M-2H]-175.96230932474
DeepCCS[M+Na]+150.78130932474
AllCCS[M+H]+145.232859911
AllCCS[M+H-H2O]+141.332859911
AllCCS[M+NH4]+148.932859911
AllCCS[M+Na]+149.932859911
AllCCS[M-H]-145.432859911
AllCCS[M+Na-2H]-146.132859911
AllCCS[M+HCOO]-147.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
BaclofenNCC(CC(O)=O)C1=CC=C(Cl)C=C13020.1Standard polar33892256
BaclofenNCC(CC(O)=O)C1=CC=C(Cl)C=C11846.3Standard non polar33892256
BaclofenNCC(CC(O)=O)C1=CC=C(Cl)C=C11902.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Baclofen,1TMS,isomer #1C[Si](C)(C)OC(=O)CC(CN)C1=CC=C(Cl)C=C11860.6Semi standard non polar33892256
Baclofen,1TMS,isomer #2C[Si](C)(C)NCC(CC(=O)O)C1=CC=C(Cl)C=C11985.1Semi standard non polar33892256
Baclofen,2TMS,isomer #1C[Si](C)(C)NCC(CC(=O)O[Si](C)(C)C)C1=CC=C(Cl)C=C11956.9Semi standard non polar33892256
Baclofen,2TMS,isomer #1C[Si](C)(C)NCC(CC(=O)O[Si](C)(C)C)C1=CC=C(Cl)C=C11938.6Standard non polar33892256
Baclofen,2TMS,isomer #1C[Si](C)(C)NCC(CC(=O)O[Si](C)(C)C)C1=CC=C(Cl)C=C12308.9Standard polar33892256
Baclofen,2TMS,isomer #2C[Si](C)(C)N(CC(CC(=O)O)C1=CC=C(Cl)C=C1)[Si](C)(C)C2167.6Semi standard non polar33892256
Baclofen,2TMS,isomer #2C[Si](C)(C)N(CC(CC(=O)O)C1=CC=C(Cl)C=C1)[Si](C)(C)C2116.7Standard non polar33892256
Baclofen,2TMS,isomer #2C[Si](C)(C)N(CC(CC(=O)O)C1=CC=C(Cl)C=C1)[Si](C)(C)C2483.8Standard polar33892256
Baclofen,3TMS,isomer #1C[Si](C)(C)OC(=O)CC(CN([Si](C)(C)C)[Si](C)(C)C)C1=CC=C(Cl)C=C12141.1Semi standard non polar33892256
Baclofen,3TMS,isomer #1C[Si](C)(C)OC(=O)CC(CN([Si](C)(C)C)[Si](C)(C)C)C1=CC=C(Cl)C=C12130.8Standard non polar33892256
Baclofen,3TMS,isomer #1C[Si](C)(C)OC(=O)CC(CN([Si](C)(C)C)[Si](C)(C)C)C1=CC=C(Cl)C=C12247.2Standard polar33892256
Baclofen,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(CN)C1=CC=C(Cl)C=C12115.2Semi standard non polar33892256
Baclofen,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(CC(=O)O)C1=CC=C(Cl)C=C12238.7Semi standard non polar33892256
Baclofen,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(CC(=O)O[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C=C12456.7Semi standard non polar33892256
Baclofen,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(CC(=O)O[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C=C12396.0Standard non polar33892256
Baclofen,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(CC(=O)O[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C=C12523.9Standard polar33892256
Baclofen,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CC(CC(=O)O)C1=CC=C(Cl)C=C1)[Si](C)(C)C(C)(C)C2616.3Semi standard non polar33892256
Baclofen,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CC(CC(=O)O)C1=CC=C(Cl)C=C1)[Si](C)(C)C(C)(C)C2483.5Standard non polar33892256
Baclofen,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CC(CC(=O)O)C1=CC=C(Cl)C=C1)[Si](C)(C)C(C)(C)C2617.3Standard polar33892256
Baclofen,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C=C12831.8Semi standard non polar33892256
Baclofen,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C=C12702.3Standard non polar33892256
Baclofen,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C=C12544.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9600000000-6ae6d753213a9472b32c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (1 TMS) - 70eV, Positivesplash10-0ff0-9720000000-6949ab5f0b56c63b916a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Baclofen GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-000i-2900000000-963f049a4367a1d5a5f52014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QTOF , negative-QTOFsplash10-03dr-0950000000-33d21cbb6740c1f1aee12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QQ , positive-QTOFsplash10-03di-1590000000-8a64733764308ba98f9a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QQ , positive-QTOFsplash10-0f6t-0900000000-6647c58db763b4df68a02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QQ , positive-QTOFsplash10-0udi-0900000000-72d6d878c9c2f29d846a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QQ , positive-QTOFsplash10-014i-1900000000-18f69033596a03ee643a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QQ , positive-QTOFsplash10-014i-1900000000-997473c303f07afcdf4e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-IT , positive-QTOFsplash10-0002-0900000000-d1da4625d180fe0af5212017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QTOF , positive-QTOFsplash10-03di-0190000000-bd0fff49defde62ed0fa2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen LC-ESI-QTOF , positive-QTOFsplash10-0ik9-0790000000-1a50b0b7f24aaaf6a87e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Baclofen 30V, Positive-QTOFsplash10-0ik9-0890000000-3f3794cee3f3ce674c852021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 10V, Positive-QTOFsplash10-01ot-0930000000-4c6fbeef09787ebe54c82016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 20V, Positive-QTOFsplash10-016s-0900000000-904b104c639269bfe4f12016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 40V, Positive-QTOFsplash10-000i-1900000000-62cafb0d9fec846e47b92016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 10V, Negative-QTOFsplash10-03xr-0690000000-4dd9b649eccb58c3cef02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 20V, Negative-QTOFsplash10-03xr-0940000000-08d03c01d7cee16a28332016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 40V, Negative-QTOFsplash10-0ikl-1900000000-69e953c6f51f0939e70c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 10V, Positive-QTOFsplash10-0udj-0900000000-cd340e3600f88734f2802021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 20V, Positive-QTOFsplash10-0udi-0900000000-89fb1deb3a2cc738679c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 40V, Positive-QTOFsplash10-0mmr-1900000000-62e1c901d161ea96465b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 10V, Negative-QTOFsplash10-03xu-0920000000-6858869b9cb96b03630e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 20V, Negative-QTOFsplash10-0gw0-1900000000-3a4e75e8e4356199aa502021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Baclofen 40V, Negative-QTOFsplash10-0gx0-9800000000-bf4ef0f5f1c595bcb4852021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00181 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00181 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2197
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBaclofen
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID2972
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Mezler M, Muller T, Raming K: Cloning and functional expression of GABA(B) receptors from Drosophila. Eur J Neurosci. 2001 Feb;13(3):477-86. [PubMed:11168554 ]
  2. Dzitoyeva S, Dimitrijevic N, Manev H: Gamma-aminobutyric acid B receptor 1 mediates behavior-impairing actions of alcohol in Drosophila: adult RNA interference and pharmacological evidence. Proc Natl Acad Sci U S A. 2003 Apr 29;100(9):5485-90. Epub 2003 Apr 11. [PubMed:12692303 ]
  3. See S, Ginzburg R: Skeletal muscle relaxants. Pharmacotherapy. 2008 Feb;28(2):207-13. doi: 10.1592/phco.28.2.207. [PubMed:18225966 ]

Enzymes

General function:
Involved in G-protein coupled receptor activity
Specific function:
Isoform 1E function may be to regulate the availability of functional GABA-B-R1A/GABA-B-R2 heterodimers by competing for GABA-B-R2 dimerization. This could explain the observation that certain small molecule ligands exhibit differential affinity for central versus peripheral sites
Gene Name:
GABBR1
Uniprot ID:
Q9UBS5
Molecular weight:
108319.4
References
  1. Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47. [PubMed:8388192 ]
  2. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  3. Garcia-Gil L, de Miguel R, Romero J, Perez A, Ramos JA, Fernandez-Ruiz JJ: Perinatal delta9-tetrahydrocannabinol exposure augmented the magnitude of motor inhibition caused by GABA(B), but not GABA(A), receptor agonists in adult rats. Neurotoxicol Teratol. 1999 May-Jun;21(3):277-83. [PubMed:10386831 ]
  4. Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19. [PubMed:19303900 ]
  5. Motalli R, Louvel J, Tancredi V, Kurcewicz I, Wan-Chow-Wah D, Pumain R, Avoli M: GABA(B) receptor activation promotes seizure activity in the juvenile rat hippocampus. J Neurophysiol. 1999 Aug;82(2):638-47. [PubMed:10444662 ]
  6. Mott DD, Li Q, Okazaki MM, Turner DA, Lewis DV: GABAB-Receptor-mediated currents in interneurons of the dentate-hilus border. J Neurophysiol. 1999 Sep;82(3):1438-50. [PubMed:10482760 ]
  7. Ogasawara T, Itoh Y, Tamura M, Mushiroi T, Ukai Y, Kise M, Kimura K: Involvement of cholinergic and GABAergic systems in the reversal of memory disruption by NS-105, a cognition enhancer. Pharmacol Biochem Behav. 1999 Sep;64(1):41-52. [PubMed:10494996 ]
  8. Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629. [PubMed:10545129 ]
  9. Stringer JL, Lorenzo N: The reduction in paired-pulse inhibition in the rat hippocampus by gabapentin is independent of GABA(B) receptor receptor activation. Epilepsy Res. 1999 Feb;33(2-3):169-76. [PubMed:10094428 ]
General function:
Involved in G-protein coupled receptor activity
Specific function:
Receptor for GABA. The activity of this receptor is mediated by G-proteins that inhibit adenylyl cyclase activity, stimulates phospholipase A2, activates potassium channels, inactivates voltage-dependent calcium-channels and modulates inositol phospholipids hydrolysis. Plays a critical role in the fine-tuning of inhibitory synaptic transmission. Pre-synaptic GABA-B-R inhibit neurotransmitter release by down-regulating high- voltage activated calcium channels, whereas postsynaptic GABA-B-R decrease neuronal excitability by activating a prominent inwardly rectifying potassium (Kir) conductance that underlies the late inhibitory postsynaptic potentials. Not only implicated in synaptic inhibition but also in hippocampal long-term potentiation, slow wave sleep, muscle relaxation and antinociception
Gene Name:
GABBR2
Uniprot ID:
O75899
Molecular weight:
105820.5
References
  1. Belley M, Sullivan R, Reeves A, Evans J, O'Neill G, Ng GY: Synthesis of the nanomolar photoaffinity GABA(B) receptor ligand CGP 71872 reveals diversity in the tissue distribution of GABA(B) receptor forms. Bioorg Med Chem. 1999 Dec;7(12):2697-704. [PubMed:10658574 ]
  2. Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2. [PubMed:15235087 ]
  3. Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47. [PubMed:8388192 ]
  4. Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74. [PubMed:10751439 ]
  5. Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19. [PubMed:19303900 ]
  6. Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91. [PubMed:10328880 ]
  7. Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629. [PubMed:10545129 ]