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Compound Detail

CHEMBL5908734

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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCO)C5)ncc3F)cc2n1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5908734
Phase Preclinical
Structure Type MOL
InChI Key ZAPGHPQYYDYEQW-UHFFFAOYSA-N
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
4.15
ALogP
8
HBA
2
HBD
92.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F2N7O
MW 479.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.38

Activity Summary

IC50 12 meas. best 8.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4
CHEMBL331
 IC50 8.69 8.69 2.1 2
Cyclin-dependent kinase 6
CHEMBL2508
 IC50 8.04 8.04 9.2 2
Cyclin-dependent kinase 9
CHEMBL3116
 IC50 7.97 7.97 10.8 2
Cyclin-dependent kinase 2
CHEMBL301
 IC50 7.7 7.7 19.9 2
Cyclin-dependent kinase 1
CHEMBL308
 IC50 7.08 7.08 83.4 2
Cyclin-dependent kinase 7
CHEMBL3055
 IC50 6.1 6.1 799.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 4 IC50 = 2.06 nM 8.69 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 4 IC50 = 2.06 nM 8.69 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
Cyclin-dependent kinase 6 IC50 = 9.17 nM 8.04 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 6 IC50 = 9.17 nM 8.04 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
Cyclin-dependent kinase 9 IC50 = 10.8 nM 7.97 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 9 IC50 = 10.8 nM 7.97 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
Cyclin-dependent kinase 2 IC50 = 19.9 nM 7.7 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 2 IC50 = 19.9 nM 7.7 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
Cyclin-dependent kinase 1 IC50 = 83.4 nM 7.08 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 1 IC50 = 83.4 nM 7.08 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
Cyclin-dependent kinase 7 IC50 = 799.0 nM 6.1 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 7 IC50 = 799.0 nM 6.1 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -

Data from ChEMBL 36 via Core Engine