Details of the Drug

General Information of Drug (ID: DMM9IXB)

Drug Name
7-(4-Hydroxy-phenyl)-naphthalen-2-ol
Synonyms CHEMBL191715; 7-(4-Hydroxyphenyl)-2-naphthol; 7-(4-Hydroxy-phenyl)-naphthalen-2-ol; SCHEMBL3932603; NSCZTZNRMFWAIY-UHFFFAOYSA-N; ZINC13645002; BDBM50168330
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) 236.26
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H12O2
IUPAC Name
7-(4-hydroxyphenyl)naphthalen-2-ol
Canonical SMILES
C1=CC(=CC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H12O2/c17-15-6-3-11(4-7-15)13-2-1-12-5-8-16(18)10-14(12)9-13/h1-10,17-18H
InChIKey
NSCZTZNRMFWAIY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10171409
ChEBI ID
CHEMBL191715
TTD ID
D09DEK
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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]
Molecular Interaction Atlas (MIA) 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.