Details of the Drug

General Information of Drug (ID: DMZFTI4)

Drug Name
(4R)-4-ammoniopentanoate
Synonyms
(R)-4-Aminopentanoic acid; 4R-aminopentanoic acid; 5937-83-7; UNII-UPX83HFN1B; UPX83HFN1B; (4R)-4-aminopentanoic acid; (R)-(+)-4-Aminovaleric acid; (4R)-4-ammoniopentanoate; AC1L9GD1; 4-Aminovaleric acid, (R)-; CHEMBL281098; SCHEMBL15177649; Pentanoic acid, 4-amino-, (R)-; ZINC1706201; Pentanoic acid, 4-amino-, (4R)-; LMFA01100021; AKOS006337463; Valeric acid, 4-amino-, (R)-(+)-; UNII-CDM626IVRT component ABSTXSZPGHDTAF-SCSAIBSYSA-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
(4R)-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-/m1/s1
InChIKey
ABSTXSZPGHDTAF-SCSAIBSYSA-N
Cross-matching ID
PubChem CID
444458
ChEBI ID
CHEMBL281098
CAS Number
5937-83-7
TTD ID
D0A8EU
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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]
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References

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