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Compound Detail

CHEMBL360698

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Cn1c(=O)c(-c2c(Cl)cccc2C(F)(F)F)cc2cnc(Nc3ccccc3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360698
Phase Preclinical
Structure Type MOL
InChI Key ALUWXRODNZKFAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.8
MW (Da)
5.41
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClF3N4O
MW 430.82
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 210.0 nM 6.68 Inhibition of c-Src tyrosine kinase 15780636

Literature References

PubMed DOI Target Context # Activities
15780636 10.1016/j.bmcl.2005.01.079 Wee1-like protein kinase 1
15780636 10.1016/j.bmcl.2005.01.079 Unchecked 1

Data from ChEMBL 36 via Core Engine