Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2375899

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Nc1nccc(-c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2375899
Phase Preclinical
Structure Type MOL
InChI Key HLJBZHSCDRMCLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.9
MW (Da)
4.59
ALogP
7
HBA
2
HBD
101.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN6O2
MW 432.87
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
23538233 10.1016/j.bmc.2013.02.036 K562 1
23538233 10.1016/j.bmc.2013.02.036 Bcr/Abl fusion protein 1

Data from ChEMBL 36 via Core Engine