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]
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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

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]

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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.