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Compound Detail

CHEMBL4439999

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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CC[Si](C)(C)C)C5)ncc3F)cc2n1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439999
Phase Preclinical
Structure Type MOL
InChI Key SXVVQLGGDQUNKQ-UHFFFAOYSA-N
11
Targets
14
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

592.8
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H42F2N8Si
MW 592.82

Activity Summary

IC50 14 meas. best 8.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK4/Cyclin D3
CHEMBL3038472
 IC50 8.87 8.87 1.4 1
Cyclin-dependent kinase 4
CHEMBL331
 IC50 8.87 8.87 1.4 2
CDK6/cyclin D3
CHEMBL2111448
 IC50 8.8 8.8 1.6 1
Cyclin-dependent kinase 6
CHEMBL2508
 IC50 8.8 8.8 1.6 2
Cyclin-dependent kinase 2
CHEMBL301
 IC50 7.6 7.6 25.1 2
CDK2/Cyclin A2
CHEMBL3038469
 IC50 7.6 7.6 25.1 1
MCF7
CHEMBL387
 IC50 7.06 7.06 86.3 1
COLO 205
CHEMBL614561
 IC50 6.72 6.72 189.0 1
A549
CHEMBL392
 IC50 6.45 6.45 352.0 1
ZR-75-1
CHEMBL614393
 IC50 6.32 6.32 479.0 1
T47D
CHEMBL614361
 IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK4/Cyclin D3 IC50 = 1.35 nM 8.87 Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303... 31200237
Cyclin-dependent kinase 4 IC50 = 1.35 nM 8.87 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 4 IC50 = 1.35 nM 8.87 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
CDK6/cyclin D3 IC50 = 1.59 nM 8.8 Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326... 31200237
Cyclin-dependent kinase 6 IC50 = 1.59 nM 8.8 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 6 IC50 = 1.59 nM 8.8 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
CDK2/Cyclin A2 IC50 = 25.1 nM 7.6 Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (1 to 298... 31200237
Cyclin-dependent kinase 2 IC50 = 25.1 nM 7.6 LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... -
Cyclin-dependent kinase 2 IC50 = 25.1 nM 7.6 Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... -
MCF7 IC50 = 86.3 nM 7.06 Antiproliferative activity against human MCF7 cells assessed as reduction in cel... 31200237
COLO 205 IC50 = 189.0 nM 6.72 Antiproliferative activity against human COLO205 cells assessed as reduction in ... 31200237
A549 IC50 = 352.0 nM 6.45 Antiproliferative activity against human A549 cells assessed as reduction in cel... 31200237
ZR-75-1 IC50 = 479.0 nM 6.32 Antiproliferative activity against human ZR-75-1 cells assessed as reduction in ... 31200237
T47D IC50 = 750.0 nM 6.12 Antiproliferative activity against human T47D cells assessed as reduction in cel... 31200237

Literature References

PubMed DOI Target Context # Activities
31200237 10.1016/j.ejmech.2019.06.005 CDK4/Cyclin D3 1
31200237 10.1016/j.ejmech.2019.06.005 CDK6/cyclin D3 1
31200237 10.1016/j.ejmech.2019.06.005 CDK2/Cyclin A2 1
31200237 10.1016/j.ejmech.2019.06.005 MCF7 1
31200237 10.1016/j.ejmech.2019.06.005 T47D 1
31200237 10.1016/j.ejmech.2019.06.005 ZR-75-1 1
31200237 10.1016/j.ejmech.2019.06.005 COLO 205 1
31200237 10.1016/j.ejmech.2019.06.005 A549 1

Data from ChEMBL 36 via Core Engine