Details of the Drug

General Information of Drug (ID: DMW1LF0)

Drug Name
Alpha-Aminobutyric Acid
Synonyms
1492-24-6; L-2-Aminobutyric acid; h-abu-oh; (S)-2-Aminobutanoic acid; (2S)-2-aminobutanoic acid; (S)-(+)-2-Aminobutyric Acid; L-alpha-Aminobutyric acid; L-(+)-2-aminobutyric acid; (S)-2-Aminobutyric acid; (-)-2-Aminobutyric acid; (S)-2-Amino-butyric acid; L-Butyrine; L-alpha-Amino-n-butyric acid; h-2-abu-oh; L-alpha-Aminobutyrate; Butanoic acid, 2-amino-, (2S)-; (S)-2-Aminobutanoate; 2S-amino-butanoic acid; UNII-0QAJ5KN9IM; S-Butyrine; ALPHA-AMINOBUTYRIC ACID; (2S)-2-Aminobutyric acid; L-2-Aminobuttersaeure; l(+)-2-aminobutyric a
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
N03AG03: Alpha-Aminobutyric Acid
N03AG: Fatty acid derivatives
N03A: ANTIEPILEPTICS
N03: ANTIEPILEPTICS
N: NERVOUS SYSTEM
N03AG03: Alpha-Aminobutyric Acid
N03AG: Fatty acid derivatives
N03A: ANTIEPILEPTICS
N03: ANTIEPILEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 103.12
Logarithm of the Partition Coefficient (xlogp) -2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H9NO2
IUPAC Name
2-aminobutanoic acid
Canonical SMILES
CCC(C(=O)O)N
InChI
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey
QWCKQJZIFLGMSD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6657
ChEBI ID
CHEBI:35621
CAS Number
2835-81-6
DrugBank ID
DB04454
TTD ID
D02DXP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Lantibiotic mersacidin (Bact glmM) TT3DQUT GLMM_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.