Details of the Drug

General Information of Drug (ID: DMA3LZ9)

Drug Name
1,1':4',1''-terphenyl-3,4''-diol
Synonyms CHEMBL459976; SCHEMBL1180998; BDBM25864; RPJZTMNVHGSNCA-UHFFFAOYSA-N; ZINC40394061; hydroxyphenyl substituted benzene, 36; 3-[4-(4-hydroxyphenyl)phenyl]phenol
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) 262.3
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H14O2
IUPAC Name
3-[4-(4-hydroxyphenyl)phenyl]phenol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CC=C(C=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H14O2/c19-17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(20)12-16/h1-12,19-20H
InChIKey
RPJZTMNVHGSNCA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25093397
ChEBI ID
CHEMBL459976
TTD ID
D0C9KZ
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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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.