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
CHEBI:45564
CAS Number
13392-69-3
DrugBank ID
DB04781
TTD ID
D0Y4TF

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.