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Compound Detail

CHEMBL150187

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COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCCn1ccnn1

Basic Information

ChEMBL ID CHEMBL150187
Phase Preclinical
Structure Type MOL
InChI Key SAZIXFAROZCPDO-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

477.3
MW (Da)
4.09
ALogP
8
HBA
1
HBD
87.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrF2N6O2
MW 477.27
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.51

Activity Summary

IC50 6 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 7.7 7.7 20.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.4 7.4 40.0 1
Fibroblast growth factor receptor
CHEMBL2095217
IC50 7.0 7.0 100.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.1 6.1 800.0 1
HUVEC
CHEMBL613979
IC50 6.0 6.0 1000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 1 1
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 2 1
10639280 10.1021/jm990345w Fibroblast growth factor receptor 1 1
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 1
10639280 10.1021/jm990345w Fibroblast growth factor receptor 1
10639280 10.1021/jm990345w HUVEC 1

Data from ChEMBL 36 via Core Engine