Details of the Drug

General Information of Drug (ID: DMZTIPJ)

Drug Name
3,3'-pyrazine-2,5-diyldiphenol
Synonyms SCHEMBL1180306; CHEMBL450256; BDBM25866; ZINC40835319; hydroxyphenyl substituted pyrazine, 38
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) 264.28
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H12N2O2
IUPAC Name
3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CN=C(C=N2)C3=CC(=CC=C3)O
InChI
InChI=1S/C16H12N2O2/c19-13-5-1-3-11(7-13)15-9-18-16(10-17-15)12-4-2-6-14(20)8-12/h1-10,19-20H
InChIKey
NBGGRQZLXLTPFA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25093399
ChEBI ID
CHEMBL450256
TTD ID
D0DC3E
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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.