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Compound Detail

CHEMBL490496

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C=CC(=O)Nc1nc2c(Cc3ccc(F)c(Cl)c3)ncnc2cc1/C=C/CCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490496
Phase Preclinical
Structure Type MOL
InChI Key OHGZNBMOOVLHFR-HWKANZROSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.0
MW (Da)
4.27
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClFN5O2
MW 481.96
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.1585 nM 9.8 Inhibition of human recombinant EGFR 19170633

Literature References

PubMed DOI Target Context # Activities
19170633 10.1021/jm800829v Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine