Details of the Drug

General Information of Drug (ID: DMJAN52)

Drug Name
2-hydroxy capric acid
Synonyms 2-hydroxy-decanoic acid; 2-OH-C10
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 188.26
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H20O3
IUPAC Name
2-hydroxydecanoic acid
Canonical SMILES
CCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKey
GHPVDCPCKSNJDR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21488
ChEBI ID
CHEBI:133172
CAS Number
5393-81-7
TTD ID
D0E1UA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inflammation-related GPCR EX33 (GPR84) TTG0MQD GPR84_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5847).
2 Medium-chain fatty acid-sensing receptor, GPR84, is a proinflammatory receptor. J Biol Chem. 2013 Apr 12;288(15):10684-91.