Details of the Drug

General Information of Drug (ID: DM3F56O)

Drug Name

(R)-4-amino-2-methylbutanoic acid

Synonyms

CHEMBL257443; 96192-37-9; (2R)-4-amino-2-methylbutanoic acid; Butanoic acid, 4-amino-2-methyl-, (2R)-; AC1LIBFM; SCHEMBL14518787; CTK3G8616; ZINC518267; (R)-2-Methyl-4-aminobutyric acid; BDBM50374650; AKOS006341386

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): 1

Molecular Weight (mw)

117.15

Logarithm of the Partition Coefficient (xlogp)

-2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C5H11NO2
IUPAC Name: (2R)-4-amino-2-methylbutanoic acid
Canonical SMILES: C[C@H](CCN)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey: AEBRINKRALSWNY-SCSAIBSYSA-N

Cross-matching ID

PubChem CID: 928194
ChEBI ID: CHEMBL257443
TTD ID: D0O4IM

Drug-Molecule Activity Atlas (DMA)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Enantioselective actions of 4-amino-3-hydroxybutanoic acid and (3-amino-2-hydroxypropyl)methylphosphinic acid at recombinant GABA(C) receptors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):402-4.