Details of the Drug

General Information of Drug (ID: DMIXQG6)

Drug Name
5-hydroxyvaleric acid
Synonyms
5-HYDROXYPENTANOIC ACID; 5-Hydroxyvaleric acid; 13392-69-3; 5-Hydroxyvalerate; 5-hydroxy-pentanoic acid; delta-Hydroxypentanoic acid; Pentanoic acid, 5-hydroxy-; 5-hydroxy valeric acid; 5-Hydroxy-pentansaeure; omega-hydroxyvaleric acid; delta-hydroxyvaleric acid; 5-Hydroxy-valeriansaeure; 4-Oxy-butan-carbonsaeure; omega-hydroxypentanoic acid; Pentanoic acid,5-hydroxy-; 5-HYDROXYLAEVULINIC ACID; CHEBI:45564; delta-hydroxyvalerate; Omega-hydroxyvalerate; Omega-hydroxypentanoate; delta-Hydroxypentanoate
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) -0.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H10O3
IUPAC Name
5-hydroxypentanoic acid
Canonical SMILES
C(CCO)CC(=O)O
InChI
InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
InChIKey
PHOJOSOUIAQEDH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25945
ChEBI ID
CHEMBL45564
CAS Number
13392-69-3
UNII
H5EVV4LP59
DrugBank ID
DB04781
TTD ID
D0Y4TF
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Delta-aminolevulinic acid dehydratase (ALAD) TTJHKYD HEM2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure of yeast 5-aminolaevulinic acid dehydratase complexed with the inhibitor 5-hydroxylaevulinic acid. Acta Crystallogr D Biol Crystallogr. 2005 Sep;61(Pt 9):1222-6.