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Compound Detail

CHEMBL92937

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CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N

Basic Information

ChEMBL ID CHEMBL92937
Phase Preclinical
Structure Type MOL
InChI Key WUWMKQIRTKOCMN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.2
MW (Da)
3.76
ALogP
5
HBA
3
HBD
75.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14BrN5
MW 344.22
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 9.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.16 9.16 0.7 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568816 10.1021/jm9503613 Epidermal growth factor receptor 1
18271520 10.1021/jm070654j Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine