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]
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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

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]

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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.