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Compound Detail

CHEMBL425593

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COc1cc(NC(=O)c2ccccn2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425593
Phase Preclinical
Structure Type MOL
InChI Key XPEYMRKRJXMHQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.8
MW (Da)
3.30
ALogP
7
HBA
3
HBD
141.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClN7O3
MW 423.82
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
16446090 10.1016/j.bmcl.2006.01.028 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine