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Compound Detail

CHEMBL371510

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Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371510
Phase Preclinical
Structure Type MOL
InChI Key GSFKQDWVMKDKSA-UHFFFAOYSA-N
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.03
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16FN5OS
MW 393.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.18

Activity Summary

IC50 8 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.7 7.965 2.0 4
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 7.42 7.42 38.0 3
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 2.0 nM 8.7 Cellular inhibition of VEGF induced human KDR phosphorylation in 3T3 murine fibr... 16162008
Vascular endothelial growth factor receptor 2 IC50 = 19.0 nM 7.72 Inhibitory concentration against human KDR kinase expressed in NIH3T3 cells with... 16162008
Vascular endothelial growth factor receptor 2 IC50 = 19.0 nM 7.72 Inhibition of KDR 17306530
Vascular endothelial growth factor receptor 2 IC50 = 19.05 nM 7.72 Inhibition of KDR 17293140
Mast/stem cell growth factor receptor Kit IC50 = 38.0 nM 7.42 Inhibitory concentration against cKit with 4 uM Biotin-Ahx-AEEEYFFLFA-amide for ... 16162008
Mast/stem cell growth factor receptor Kit IC50 = 38.0 nM 7.42 Inhibition of c-Kit by HTRF method 19892442
Mast/stem cell growth factor receptor Kit IC50 = 38.02 nM 7.42 Inhibition of cKIT 17293140
Receptor-type tyrosine-protein kinase FLT3 IC50 = 67.0 nM 7.17 Inhibitory concentration against FLT3 with 4 uM Biotin-Ahx-AEEEYFFLFA-amide at a... 16162008

Literature References

PubMed DOI Target Context # Activities
16162008 10.1021/jm050458h Vascular endothelial growth factor receptor 2 2
16162008 10.1021/jm050458h Mast/stem cell growth factor receptor Kit 1
16162008 10.1021/jm050458h Receptor-type tyrosine-protein kinase FLT3 1
16162008 10.1021/jm050458h Mus musculus 1
17306530 10.1016/j.bmcl.2007.01.089 Vascular endothelial growth factor receptor 2 1
19892442 10.1016/j.ejmech.2009.09.013 Mast/stem cell growth factor receptor Kit 1
17293140 10.1016/j.jmgm.2006.12.001 Vascular endothelial growth factor receptor 2 1
17293140 10.1016/j.jmgm.2006.12.001 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine