Details of the Drug

General Information of Drug (ID: DM0MGFQ)

Drug Name

1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL

Synonyms

1-Chloro-6-(4-hydroxyphenyl)-2-naphthol; CHEMBL364092; 1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol; 4NA; 1yy4; AC1O0UUG; 1-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol; SCHEMBL3933824; YHEHVRSGKUYDON-UHFFFAOYSA-N; ZINC13645009; BDBM50168323

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)

270.71

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H11ClO2
IUPAC Name: 1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol
Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(C=C2)C(=C(C=C3)O)Cl)O
InChI: InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H
InChIKey: YHEHVRSGKUYDON-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6102690
DrugBank ID: DB07119
TTD ID: D01KJU

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	[2]
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	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	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.