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Compound Detail

CHEMBL2337372

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COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1

Basic Information

ChEMBL ID CHEMBL2337372
Phase Preclinical
Structure Type MOL
InChI Key ZEDKJXMVVWZHSC-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
5.50
ALogP
5
HBA
3
HBD
91.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN5O2
MW 423.90
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.29

Activity Summary

IC50 3 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23434139 10.1016/j.bmc.2013.01.040 A-431 1
23434139 10.1016/j.bmc.2013.01.040 Platelet-derived growth factor receptor beta 1
23434139 10.1016/j.bmc.2013.01.040 Epidermal growth factor receptor 1
23434139 10.1016/j.bmc.2013.01.040 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine