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Compound Detail

CHEMBL5871272

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COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL5871272
Phase Preclinical
Structure Type MOL
InChI Key DMEGVLUOQVCSAO-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
6.46
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19F3N4O3S
MW 500.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.44

Activity Summary

Kd 3 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
Kd 6.43 6.43 375.0 1
Serine/threonine-protein kinase B-raf
CHEMBL5145
Kd 6.43 6.275 375.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine