Details of the Drug

General Information of Drug (ID: DMU2PSQ)

Drug Name

1-Bromo-6-(3-hydroxyphenyl)-2-naphthol

Synonyms

CHEMBL467151; 1-Bromo-6-(3-hydroxyphenyl)-2-naphthol; SCHEMBL3009237; WIVQIQQCUPQEGH-UHFFFAOYSA-N; ZINC40876206; BDBM50261887; 1-bromo-6-(3-hydroxyphenyl)naphthalene-2-ol

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)

315.16

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H11BrO2
IUPAC Name: 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol
Canonical SMILES: C1=CC(=CC(=C1)O)C2=CC3=C(C=C2)C(=C(C=C3)O)Br
InChI: InChI=1S/C16H11BrO2/c17-16-14-6-4-11(8-12(14)5-7-15(16)19)10-2-1-3-13(18)9-10/h1-9,18-19H
InChIKey: WIVQIQQCUPQEGH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24950391
TTD ID: D08PDK

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	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.