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Compound Detail

CHEMBL7810

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COc1cc(O)c2c(=O)c(-c3cccc(Cl)c3)cn(CCc3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL7810
Phase Preclinical
Structure Type MOL
InChI Key YEELQJLZRMCLAG-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.9
MW (Da)
5.28
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClNO3
MW 405.88
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.18

Activity Summary

IC50 3 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 5.82 5.61 1500.0 2
Epidermal growth factor receptor
CHEMBL3608
IC50 5.31 5.31 4930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10090785 10.1021/jm980551o Epidermal growth factor receptor 3
10090785 10.1021/jm980551o Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine