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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.