Details of the Drug

General Information of Drug (ID: DMJWIPS)

Drug Name
5-(6-hydroxy-2-naphthyl)pyridin-3-ol
Synonyms CHEMBL261427; SCHEMBL3002838; RTRRNSMMHNFJIV-UHFFFAOYSA-N; BDBM50373034
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) 237.25
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H11NO2
IUPAC Name
5-(6-hydroxynaphthalen-2-yl)pyridin-3-ol
Canonical SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C3=CC(=CN=C3)O
InChI
InChI=1S/C15H11NO2/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16-8-13/h1-9,17-18H
InChIKey
RTRRNSMMHNFJIV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24827431
ChEBI ID
CHEMBL261427
TTD ID
D0M3RQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) TTIWB6L DHB1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors... J Med Chem. 2008 Apr 10;51(7):2158-69.