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Compound Detail

CHEMBL6012324

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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc21

Basic Information

ChEMBL ID CHEMBL6012324
Phase Preclinical
Structure Type MOL
InChI Key SLORTXJSOVPUPP-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.41
ALogP
8
HBA
1
HBD
71.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25F2N7O
MW 441.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.23

Activity Summary

IC50 3 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4
CHEMBL331
IC50 8.8 8.8 1.6 1
Cyclin-dependent kinase 6
CHEMBL2508
IC50 8.47 8.47 3.4 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine