Details of the Drug

General Information of Drug (ID: DMDGKFV)

Drug Name
4-Hydroxy-pentanoic acid
Synonyms
4-Hydroxypentanoic acid; 4-Hydroxyvaleric acid; 4-hydroxy-pentanoic acid; gamma-Hydroxyvaleric acid; 13532-37-1; 4-hydroxy-valeric acid; Pentanoic acid, 4-hydroxy-; 103712-26-1; Pentanoic acid, 4-hydroxy-, (S)-; EINECS 236-884-1; ACMC-20m6jh; AC1Q5VUF; Pentanoic acid,4-hydroxy-; AC1L3FK5; AC1Q2BV5; SCHEMBL27394; CHEMBL169219; CTK4B9757; FMHKPLXYWVCLME-UHFFFAOYSA-N; MolPort-006-120-502; LMFA01050009; AKOS008148154; MCULE-6352217997; TX-017030
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): 0 Molecular Weight (mw) 118.13
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H10O3
IUPAC Name
4-hydroxypentanoic acid
Canonical SMILES
CC(CCC(=O)O)O
InChI
InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
FMHKPLXYWVCLME-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
114539
CAS Number
13532-37-1
TTD ID
D07QSV
VARIDT ID
DR01080

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-hydroxybutyrate receptor (SLC52A2) TT6TKEN S52A2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies. J Med Chem. 1988 May;31(5):893-7.