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Compound Detail

CHEMBL5837138

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COC(=O)c1cnc(N)c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c1

Basic Information

ChEMBL ID CHEMBL5837138
Phase Preclinical
Structure Type MOL
InChI Key OIUSMJPCEZOFLD-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
4.92
ALogP
5
HBA
3
HBD
106.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16F4N4O3
MW 448.38
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.60

Activity Summary

IC50 3 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 8.15 8.15 7.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.15 8.15 7.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine