Details of the Drug

General Information of Drug (ID: DMZJS2E)

Drug Name
4-Amino-3-thiophen-2-yl-butyric acid
Synonyms
4-Amino-3-(2-thienyl)butanoic acid; 133933-76-3; CHEMBL315476; 4-amino-3-(thien-2-yl)butanoic acid; 2-Thiophenepropanoicacid, b-(aminomethyl)-; 98593-59-0; 2-BTG; 4-amino-3-thiophen-2-ylbutanoic acid; 4-Amino-3-thiophen-2-yl-butyric acid; beta-(2-Thienyl)-gamma-aminobutyric acid; ACMC-1C0HP; AC1L2ZM2; SCHEMBL341042; CTK4B8884; BDBM50007117; 4-Amino-3-(2-thienyl)butyric acid; 4-amino-3-(2-thienyl) butyric acid; AKOS014313933
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) 185.25
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H11NO2S
IUPAC Name
4-amino-3-thiophen-2-ylbutanoic acid
Canonical SMILES
C1=CSC(=C1)C(CC(=O)O)CN
InChI
InChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)
InChIKey
QDVRXIPQICAUFK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
131689
CAS Number
98593-59-0
TTD ID
D09WJO

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.