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Compound Detail

CHEMBL6046062

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COC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4ccccc4F)ccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6046062
Phase Preclinical
Structure Type MOL
InChI Key OOQTVBOFLACKQI-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
5.12
ALogP
6
HBA
3
HBD
106.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FN4O3S
MW 436.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.73

Activity Summary

IC50 7 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 8.0 7.6967 10.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.0 6.995 10.0 4

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 Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... -
Platelet-derived growth factor receptor beta IC50 = 10.0 nM 8.0 Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... -
Platelet-derived growth factor receptor beta IC50 = 10.0 nM 8.0 PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... -
Platelet-derived growth factor receptor beta IC50 = 81.0 nM 7.09 Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 81.0 nM 7.09 Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... -
Vascular endothelial growth factor receptor 2 IC50 = 81.0 nM 7.09 VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... -
Vascular endothelial growth factor receptor 2 IC50 = 1595.0 nM 5.8 VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn... -

Data from ChEMBL 36 via Core Engine