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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL284327
CAS Number
1558-59-4
TTD ID
D0N0ZK
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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