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Compound Detail

CHEMBL5792947

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CCN1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)c(F)c4)ncc3F)cc21

Basic Information

ChEMBL ID CHEMBL5792947
Phase Preclinical
Structure Type MOL
InChI Key UZYBVBHFAVVOGH-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
3.93
ALogP
7
HBA
2
HBD
65.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25F3N6O
MW 470.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.42

Activity Summary

IC50 3 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4
CHEMBL331
IC50 8.6 8.6 2.5 1
Cyclin-dependent kinase 6
CHEMBL2508
IC50 8.52 8.52 3.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.24 7.24 58.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine