Details of the Drug

General Information of Drug (ID: DMB76ZN)

Drug Name
8-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
Synonyms CHEMBL363367; 8-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol; SCHEMBL3923941; IVJIWGTXXHDRCU-UHFFFAOYSA-N; BDBM50168384; ZINC13645099
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) 270.71
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H11ClO2
IUPAC Name
8-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol
Canonical SMILES
C1=CC(=CC=C1C2=CC(=C3C=C(C=CC3=C2)O)Cl)O
InChI
InChI=1S/C16H11ClO2/c17-16-8-12(10-1-4-13(18)5-2-10)7-11-3-6-14(19)9-15(11)16/h1-9,18-19H
InChIKey
IVJIWGTXXHDRCU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10214699
ChEBI ID
CHEMBL363367
TTD ID
D08VDX
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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.