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Compound Detail

CHEMBL1923084

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Cc1ccc(NC(=O)c2ccc(N)c(N)c2)cc1Nc1nccc(-c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923084
Phase Preclinical
Structure Type MOL
InChI Key KAGGHKGZOJRKCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.01
ALogP
7
HBA
4
HBD
131.8
PSA (Ų)
0.36
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 C23H21N7O
MW 411.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
22033461 10.1016/j.bmcl.2011.09.127 Tyrosine-protein kinase ABL1 2

Data from ChEMBL 36 via Core Engine