Details of the Drug

General Information of Drug (ID: DMEDRAX)

Drug Name
4-Amino-3-(5-methyl-thiophen-2-yl)-butyric acid
Synonyms
133933-77-4; CHEMBL86144; 4-amino-3-(5-methylthiophen-2-yl)butanoic acid; 4-Amtba; 4-Amino-3-(5-methyl-2-thienyl)butyric acid; AC1L2PFE; ACMC-1C1U4; 4-Amino-3-(5-methyl-thiophen-2-yl)-butyric acid; SCHEMBL341475; CTK0H6620; beta-(5-Methyl-2-thienyl)GABA; BDBM50007107; AKOS022919013; 4-amino-3-(5-methylthien-2-yl)butanoic acid; 2-Thiophenepropanoic acid, beta-(aminomethyl)-5-methyl-, (+-)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 199.27
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H13NO2S
IUPAC Name
4-amino-3-(5-methylthiophen-2-yl)butanoic acid
Canonical SMILES
CC1=CC=C(S1)C(CC(=O)O)CN
InChI
InChI=1S/C9H13NO2S/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)
InChIKey
RPNWEWXYTFWDTR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
125916
CAS Number
133933-77-4
TTD ID
D09YCW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid B receptor (GABBR) TTDCVZW GABR1_HUMAN ; GABR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 3-Thienyl- and 3-furylaminobutyric acids. Synthesis and binding GABAB receptor studies. J Med Chem. 1991 Aug;34(8):2557-60.