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]
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
ChEBI ID
CHEMBL467151
TTD ID
D08PDK
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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]
Molecular Interaction Atlas (MIA) 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.