Details of the Drug

General Information of Drug (ID: DM27HSO)

Drug Name

3-(2-naphthyl)phenol

Synonyms

3-(2-naphthyl)phenol; 2-(3-Hydroxyphenyl)naphthalene; 3-(NAPHTHALEN-2-YL)PHENOL; 33104-32-4; CHEMBL258687; 3-Naphthalene-2-ylphenol; 3-naphthalen-2-yl-phenol; SCHEMBL3015094; DTXSID90487649; FQDQJXSIUCYJDC-UHFFFAOYSA-N; BDBM50373033

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)

220.26

Topological Polar Surface Area (xlogp)

4.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H12O
IUPAC Name: 3-naphthalen-2-ylphenol
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)O
InChI: InChI=1S/C16H12O/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11,17H
InChIKey: FQDQJXSIUCYJDC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 12316406
CAS Number: 33104-32-4
TTD ID: D0F6ZH

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)

MIA Detail

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.
2	Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. J Med Chem. 2008 Jul 24;51(14):4188-99.
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	Substituted 6-phenyl-2-naphthols. Potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1): design,... J Med Chem. 2008 Aug 14;51(15):4685-98.
5	New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.