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Compound Detail

CHEMBL5916510

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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(C(N)=O)c(F)c4)ncc3F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5916510
Phase Preclinical
Structure Type MOL
InChI Key BUUPTQBJQWWODA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
4.01
ALogP
6
HBA
2
HBD
93.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F3N5O2
MW 443.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 6
CHEMBL2508
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 6 IC50 = 3.0 nM 8.52 In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... -

Data from ChEMBL 36 via Core Engine