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Compound Detail

CHEMBL286343

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C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCn1ccnc1

Basic Information

ChEMBL ID CHEMBL286343
Phase Preclinical
Structure Type MOL
InChI Key HWQPAHSRLNVGKB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
4.93
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21BrN6O2
MW 493.37
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 8.52 8.1 3.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10753475 10.1021/jm990482t Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine