Details of the Drug

General Information of Drug (ID: DMM9IXB)

Drug Name

7-(4-Hydroxy-phenyl)-naphthalen-2-ol

Synonyms

CHEMBL191715; 7-(4-Hydroxyphenyl)-2-naphthol; 7-(4-Hydroxy-phenyl)-naphthalen-2-ol; SCHEMBL3932603; NSCZTZNRMFWAIY-UHFFFAOYSA-N; ZINC13645002; BDBM50168330

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)

236.26

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H12O2
IUPAC Name: 7-(4-hydroxyphenyl)naphthalen-2-ol
Canonical SMILES: C1=CC(=CC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C16H12O2/c17-15-6-3-11(4-7-15)13-2-1-12-5-8-16(18)10-14(12)9-13/h1-10,17-18H
InChIKey: NSCZTZNRMFWAIY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10171409
TTD ID: D09DEK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity. J Med Chem. 2005 Jun 16;48(12):3953-79.