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Compound Detail

CHEMBL2337371

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CC(C)(C)C(=O)Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c12

Basic Information

ChEMBL ID CHEMBL2337371
Phase Preclinical
Structure Type MOL
InChI Key PEJVLEHFOXMTEA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
5.63
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.41
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 C21H19ClFN5O
MW 411.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 4.51 4.51 30800.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 4.51 4.51 31200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23434139 10.1016/j.bmc.2013.01.040 Epidermal growth factor receptor 2
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 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine