Details of the Drug

General Information of Drug (ID: DMZILNC)

Drug Name
3,3'-Pyridine-2,5-diyldiphenol
Synonyms SCHEMBL1181050; CHEMBL460182; BDBM25865; 3,3'-(2,5-Pyridinediyl)bisphenol; ZINC40865361; hydroxyphenyl substituted pyridine, 37
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) 263.29
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H13NO2
IUPAC Name
3-[6-(3-hydroxyphenyl)pyridin-3-yl]phenol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CN=C(C=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C17H13NO2/c19-15-5-1-3-12(9-15)14-7-8-17(18-11-14)13-4-2-6-16(20)10-13/h1-11,19-20H
InChIKey
GWBPLTAHNKSFLG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25093398
ChEBI ID
CHEMBL460182
TTD ID
D07VXQ
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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 Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as p... J Med Chem. 2008 Nov 13;51(21):6725-39.