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Compound Detail

CHEMBL2425737

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O=C(CCOc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

Basic Information

ChEMBL ID CHEMBL2425737
Phase Preclinical
Structure Type MOL
InChI Key FCAVKAMZQCESHE-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

463.3
MW (Da)
5.54
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19BrN4O2
MW 463.34
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.67

Activity Summary

IC50 3 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.72 7.6 19.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23988354 10.1016/j.bmcl.2013.08.008 Epidermal growth factor receptor 7
23988354 10.1016/j.bmcl.2013.08.008 A549 3
23988354 10.1016/j.bmcl.2013.08.008 No relevant target 1

Data from ChEMBL 36 via Core Engine