Details of the Drug

General Information of Drug (ID: DMKPNSH)

Drug Name

4-Naphthalen-2-yl-phenol

Synonyms

4-(naphthalen-2-yl)phenol; 6336-82-9; 4-Naphthalen-2-yl-phenol; 4-(2-Naphthyl)phenol; 4-naphthalen-2-ylphenol; CHEMBL194772; NSC-39892; 2-(4-HYDROXYPHENYL)NAPHTHALENE; NSC39892; AC1L5XK9; AC1Q7B9I; SCHEMBL234529; KS-00000ORV; CTK5B8841; DTXSID70284931; NIRHUNSXEDESLN-UHFFFAOYSA-N; MolPort-015-145-553; ZINC1671629; MFCD18312886; KM0737; BDBM50168385; ANW-73541; AKOS016007751; IMED1575423883; KB-40006; AK-50357; AJ-29221; TC-162286; AX8212912; 4CH-024303

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)

220.26

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

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

Cross-matching ID

PubChem CID: 236868
CAS Number: 6336-82-9
TTD ID: D0L3AX

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.