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Compound Detail

CHEMBL5912736

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COC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4ccc(F)cc4F)ccc3s2)c1

Basic Information

ChEMBL ID CHEMBL5912736
Phase Preclinical
Structure Type MOL
InChI Key SDQXQGSVVDEHLF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
5.25
ALogP
6
HBA
3
HBD
106.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F2N4O3S
MW 454.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.81

Activity Summary

IC50 3 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 8.05 8.05 9.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine