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Compound Detail

CHEMBL2337364

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Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c12

Basic Information

ChEMBL ID CHEMBL2337364
Phase Preclinical
Structure Type MOL
InChI Key AWTDSPKSEWBWCH-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.2
MW (Da)
4.88
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Cl2FN5
MW 362.19
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.65

Activity Summary

IC50 3 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 4.41 4.41 38900.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 4.41 4.41 38900.0 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