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

CHEMBL5964556

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)N1CCOc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)C(=O)N(C)C)n3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5964556
Phase Preclinical
Structure Type MOL
InChI Key KXPICMSXZCNILY-UHFFFAOYSA-N
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.9
MW (Da)
3.80
ALogP
8
HBA
2
HBD
116.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN6O4
MW 506.95
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.41

Activity Summary

IC50 10 meas. best 7.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 7.83 7.15 14.7 8
ALK tyrosine kinase receptor
CHEMBL4247
 IC50 7.82 7.82 15.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 14.7 nM 7.83 Kinase Assay (EGFR)(T790M)(L858R): Kinase Assay Protocol:Bar-coded Corning, low ... -
ALK tyrosine kinase receptor IC50 = 15.0 nM 7.82 TBD: TBD -
Epidermal growth factor receptor IC50 = 15.0 nM 7.82 TBD: TBD -
ALK tyrosine kinase receptor IC50 = 15.1 nM 7.82 Kinase Assay (ALK): Kinase Assay Protocol:Bar-coded Corning, low volume NBS, bla... -
Epidermal growth factor receptor IC50 = 21.0 nM 7.68 TBD: TBD -
Epidermal growth factor receptor IC50 = 21.3 nM 7.67 Kinase Assay (EGFR)(T790M): Kinase Assay Protocol:Bar-coded Corning, low volume ... -
Epidermal growth factor receptor IC50 = 225.0 nM 6.65 TBD: TBD -
Epidermal growth factor receptor IC50 = 225.0 nM 6.65 Kinase Assay (EGFR/L858R): Kinase Assay Protocol:Bar-coded Corning, low volume N... -
Epidermal growth factor receptor IC50 = 354.0 nM 6.45 TBD: TBD -
Epidermal growth factor receptor IC50 = 354.0 nM 6.45 Kinase Assay (EGFR): Kinase Assay Protocol:Bar-coded Corning, low volume NBS, bl... -

Data from ChEMBL 36 via Core Engine