Details of the Drug

General Information of Drug (ID: DMBLAY1)

• Drug Name: (4S)-4-ammoniopentanoate
• Synonyms: (S)-4-Aminovaleric acid; (S)-4-Aminopentanoic acid; (4S)-4-aminopentanoic acid; 4S-aminopentanoic acid; UNII-G98ZJ0KD1D; G98ZJ0KD1D; 1558-59-4; Pentanoic acid, 4-amino-, (S)-; (4S)-4-ammoniopentanoate; 4-Aminovaleric acid, (S)-; AC1NSNZ5; SCHEMBL288484; CHEMBL284327; ZINC3581353; LMFA01100022; Pentanoic acid, 4-amino-, (4S)-; (2E,4S)-4-aminopent-2-enoic acid; AKOS027321168; UNII-CDM626IVRT component ABSTXSZPGHDTAF-BYPYZUCNSA-N

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); 117.15
  Logarithm of the Partition Coefficient (xlogp); -2.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C5H11NO2
  IUPAC Name: (4S)-4-aminopentanoic acid
  Canonical SMILES: C[C@@H](CCC(=O)O)N
  InChI: InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
  InChIKey: ABSTXSZPGHDTAF-BYPYZUCNSA-N
• Cross-matching ID:
  PubChem CID: 5312968
  CAS Number: 1558-59-4
  TTD ID: D0N0ZK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-5 (GABRA5)	TTNZPQ1	GBRA5_HUMAN	Inhibitor	[1]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] gamma-Aminobutyric acid agonists, antagonists, and uptake inhibitors. Design and therapeutic aspects. J Med Chem. 1981 Dec;24(12):1377-83.