Details of the Drug

General Information of Drug (ID: DMBG5Y8)

Drug Name
6-(4-Hydroxy-phenyl)-1-methoxy-naphthalen-2-ol
Synonyms CHEMBL195786; 6-(4-Hydroxy-phenyl)-1-methoxy-naphthalen-2-ol; SCHEMBL5980579; DSBWWPDVDPKMHN-UHFFFAOYSA-N; ZINC13645027; BDBM50168344
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) 266.29
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H14O3
IUPAC Name
6-(4-hydroxyphenyl)-1-methoxynaphthalen-2-ol
Canonical SMILES
COC1=C(C=CC2=C1C=CC(=C2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H14O3/c1-20-17-15-8-4-12(10-13(15)5-9-16(17)19)11-2-6-14(18)7-3-11/h2-10,18-19H,1H3
InChIKey
DSBWWPDVDPKMHN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11414445
ChEBI ID
CHEMBL195786
TTD ID
D0M0XL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.