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Compound Detail

CHEMBL3086932

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CN(C)c1ccc(/C=N/CCCC/N=C/c2ccc(N(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3086932
Phase Preclinical
Structure Type MOL
InChI Key ZOOYPLZCQSLGOI-GJHDBBOXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
4.14
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4
MW 350.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
24177358 10.1016/j.ejmech.2013.09.055 Huh-7 1
24177358 10.1016/j.ejmech.2013.09.055 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine