Details of the Drug

General Information of Drug (ID: DMVKPF1)

Drug Name

4-Amino-3-(4-fluoro-phenyl)-butyric acid

Synonyms

(R)-4-AMINO-3-(4-FLUOROPHENYL)BUTANOIC ACID; 741217-33-4; CHEMBL301492; (3R)-4-amino-3-(4-fluorophenyl)butanoic acid; AK-87533; PubChem18292; SCHEMBL351702; CTK5D9380; KS-00000QGP; DTXSID00557064; MolPort-023-332-505; ZINC6093177; ANW-65813; 1505AC; BDBM50368295; AKOS006325793; LS30154; CA-2040; DS-2490; AC-22391; AJ-55750; TC-154558; AX8236708; KB-210177; ST24020736; (R)-3-(4-Fluorophenyl)-4-aminobutyric acid

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)

197.21

Logarithm of the Partition Coefficient (xlogp)

-1.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H12FNO2
IUPAC Name: 4-amino-3-(4-fluorophenyl)butanoic acid
Canonical SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)F
InChI: InChI=1S/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKey: QWHXHLDNSXLAPX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 103611
CAS Number: 52237-19-1
TTD ID: D0VR3K

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)

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.