Details of the Drug

General Information of Drug (ID: DMMZENV)

Drug Name
6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
Synonyms CHEMBL469227; 6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol; SCHEMBL3008799
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): 1 Molecular Weight (mw) 312.4
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C22H16O2
IUPAC Name
6-(3-hydroxyphenyl)-1-phenylnaphthalen-2-ol
Canonical SMILES
C1=CC=C(C=C1)C2=C(C=CC3=C2C=CC(=C3)C4=CC(=CC=C4)O)O
InChI
InChI=1S/C22H16O2/c23-19-8-4-7-16(14-19)17-9-11-20-18(13-17)10-12-21(24)22(20)15-5-2-1-3-6-15/h1-14,23-24H
InChIKey
ZYOIQICRHUXCRL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24894072
ChEBI ID
CHEMBL469227
TTD ID
D0V2QH
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.