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

CHEMBL4582423

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
Nc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccccc4)c3=O)cc2F)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4582423
Phase Preclinical
Structure Type MOL
InChI Key MPIRVFMBDRVCPI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

500.9
MW (Da)
5.81
ALogP
6
HBA
2
HBD
99.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18ClFN4O3
MW 500.92
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.74 8.74 1.8 1
EBC-1
CHEMBL4296411
 IC50 7.17 7.17 67.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 1.8 nM 8.74 Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as subs... 27524312
EBC-1 IC50 = 67.8 nM 7.17 Antiproliferative activity against human EBC1 cells after 72 hrs by SRB assay 27524312

Literature References

PubMed DOI Target Context # Activities
27524312 10.1016/j.bmcl.2016.07.077 Hepatocyte growth factor receptor 2
27524312 10.1016/j.bmcl.2016.07.077 Proto-oncogene tyrosine-protein kinase ROS 1
27524312 10.1016/j.bmcl.2016.07.077 EBC-1 1
27524312 10.1016/j.bmcl.2016.07.077 Tyrosine-protein kinase Mer 1
27524312 10.1016/j.bmcl.2016.07.077 Tyrosine-protein kinase receptor TYRO3 1
27524312 10.1016/j.bmcl.2016.07.077 Vascular endothelial growth factor receptor 2 1
27524312 10.1016/j.bmcl.2016.07.077 Fibroblast growth factor receptor 1 1
27524312 10.1016/j.bmcl.2016.07.077 Insulin receptor 1
27524312 10.1016/j.bmcl.2016.07.077 ALK tyrosine kinase receptor 1
27524312 10.1016/j.bmcl.2016.07.077 Leukocyte tyrosine kinase receptor 1
27524312 10.1016/j.bmcl.2016.07.077 Ephrin type-A receptor 2 1
27524312 10.1016/j.bmcl.2016.07.077 Vascular endothelial growth factor receptor 1 1
27524312 10.1016/j.bmcl.2016.07.077 Vascular endothelial growth factor receptor 3 1
27524312 10.1016/j.bmcl.2016.07.077 Platelet-derived growth factor receptor alpha 1
27524312 10.1016/j.bmcl.2016.07.077 Platelet-derived growth factor receptor beta 1
27524312 10.1016/j.bmcl.2016.07.077 Epidermal growth factor receptor 1
27524312 10.1016/j.bmcl.2016.07.077 Receptor tyrosine-protein kinase erbB-2 1
27524312 10.1016/j.bmcl.2016.07.077 Receptor tyrosine-protein kinase erbB-4 1
27524312 10.1016/j.bmcl.2016.07.077 Proto-oncogene tyrosine-protein kinase Src 1
27524312 10.1016/j.bmcl.2016.07.077 Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine