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Compound Detail

CHEMBL134371

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O=C(O)/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134371
Phase Preclinical
Structure Type MOL
InChI Key DZDCQTBAAQYSND-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.2
MW (Da)
3.72
ALogP
5
HBA
3
HBD
104.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13BrN4O3
MW 413.23
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 9.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 9.43 9.43 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.37 nM 9.43 Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... 11462982

Literature References

PubMed DOI Target Context # Activities
11462982 10.1021/jm000372i Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine