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Compound Detail

CHEMBL5877196

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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccn(C5=CCNCC5)c(=O)c4)ncc3F)cc21

Basic Information

ChEMBL ID CHEMBL5877196
Phase Preclinical
Structure Type MOL
InChI Key PJJRCQULLSOBAU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
3.77
ALogP
8
HBA
2
HBD
84.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F2N6O2
MW 480.52
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.85

Activity Summary

IC50 3 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4
CHEMBL331
IC50 8.4 8.4 4.0 1
Cyclin-dependent kinase 6
CHEMBL2508
IC50 8.12 8.12 7.5 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine