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

CHEMBL602703

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
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(CC(=O)Nc5ccccc5)C(F)(F)F)cc4F)c3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602703
Phase Preclinical
Structure Type MOL
InChI Key ZXXJTQRLPRCGMZ-UHFFFAOYSA-N
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

555.6
MW (Da)
7.00
ALogP
7
HBA
2
HBD
81.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21F4N5O2S
MW 555.56
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.29

Activity Summary

IC50 8 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.0 8.0 10.0 2
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 6.92 6.292 120.0 5
Macrophage-stimulating protein receptor
CHEMBL2689
 IC50 5.99 5.99 1030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 10.0 nM 8.0 Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9... 20071170
Vascular endothelial growth factor receptor 2 IC50 = 10.0 nM 8.0 Inhibition of VEGFR2 20363625
Hepatocyte growth factor receptor IC50 = 120.0 nM 6.92 Inhibition of recombinant GST-fused c-Met expressed in baculovirus infected high... 20071170
Hepatocyte growth factor receptor IC50 = 120.0 nM 6.92 Inhibition of c-Met 20363625
Hepatocyte growth factor receptor IC50 = 600.0 nM 6.22 Inhibition of TPR-fused Met autophosphorylation expressed in HEK293T cells after... 20071170
Macrophage-stimulating protein receptor IC50 = 1030.0 nM 5.99 Inhibition of TPR-tagged RON catalytic domain expressed in HEK293 cells 20363625
Hepatocyte growth factor receptor IC50 = 2000.0 nM 5.7 Inhibition of c-MET in human A549 cells by wound healing assay 20071170
Hepatocyte growth factor receptor IC50 = 2000.0 nM 5.7 Inhibition of c-MET in human DU145 cells by scattering assay 20071170

Literature References

PubMed DOI Target Context # Activities
20071170 10.1016/j.bmcl.2009.12.099 Hepatocyte growth factor receptor 4
20071170 10.1016/j.bmcl.2009.12.099 Vascular endothelial growth factor receptor 2 1
20363625 10.1016/j.bmcl.2010.03.073 Macrophage-stimulating protein receptor 1
20363625 10.1016/j.bmcl.2010.03.073 Hepatocyte growth factor receptor 1
20363625 10.1016/j.bmcl.2010.03.073 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine