Details of the Drug

General Information of Drug (ID: DM2I91C)

Drug Name
7-(3-Hydroxy-phenyl)-naphthalen-2-ol
Synonyms 7-(3-hydroxyphenyl)-2-naphthol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
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-(3-hydroxyphenyl)naphthalen-2-ol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CC3=C(C=C2)C=CC(=C3)O
InChI
InChI=1S/C16H12O2/c17-15-3-1-2-12(9-15)13-5-4-11-6-7-16(18)10-14(11)8-13/h1-10,17-18H
InChIKey
VEQWNMMVQWDERW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10171410
ChEBI ID
CHEMBL194873
TTD ID
D01IAT
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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 [2]
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.
2 Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors... J Med Chem. 2008 Apr 10;51(7):2158-69.