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]

• Drug Type: Small molecular drug
• #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]

References

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