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Compound Detail

CHEMBL6045551

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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCSCC5)c(F)c4)ncc3F)cc21

Basic Information

ChEMBL ID CHEMBL6045551
Phase Preclinical
Structure Type MOL
InChI Key XOWBYADIWSUVKJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
5.46
ALogP
7
HBA
1
HBD
53.5
PSA (Ų)
0.50
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F3N5OS
MW 501.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.50

Activity Summary

IC50 2 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.34 7.34 46.0 1
Cyclin-dependent kinase 6
CHEMBL2508
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine