Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3622626

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CC(=O)Nc1cc2c(Nc3ccc(Cl)c(C(F)(F)F)c3)ncnc2cc1O[C@H]1CCOC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622626
Phase Preclinical
Structure Type MOL
InChI Key NPKOZYOFDUHYDT-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.9
MW (Da)
5.34
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClF3N4O3
MW 478.86
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 6.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 6.98 6.98 104.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 104.7 nM 6.98 Inhibition of EGFR (unknown origin) by ELISA method 26310890

Literature References

PubMed DOI Target Context # Activities
26310890 10.1016/j.ejmech.2015.08.026 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine