Compound Detail
CHEMBL4082469
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Basic Information
| ChEMBL ID | CHEMBL4082469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUFKAIQMVPWHCQ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
56.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.19
EC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Cyclin-C/Cyclin-dependent kinase 19 CHEMBL3883323 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | EC50 | 8.05 | 8.05 | 8.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 137.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 0.65 | nM | 9.19 | Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown orig... | 28302507 |
| Cyclin-C/Cyclin-dependent kinase 19 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown ori... | 28302507 |
| Cyclin-dependent kinase 9 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK9 (unknown origin) | 28302507 |
| Cyclin-dependent kinase 8 | EC50 | = | 8.9 | nM | 8.05 | Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphoryl... | 28302507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28302507 | 10.1016/j.bmc.2017.02.038 | Cyclin-C/Cyclin-dependent kinase 19 | 2 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | CDK8/Cyclin C | 2 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Cyclin-dependent kinase 9 | 2 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Serine/threonine-protein kinase PLK1 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Rho-associated protein kinase 1 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | RAC-alpha serine/threonine-protein kinase | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | MAP kinase-activated protein kinase 2 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Hepatocyte growth factor receptor | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Focal adhesion kinase 1 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Mitogen-activated protein kinase 14 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | CDK2/Cyclin A2 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Unchecked | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Vascular endothelial growth factor receptor 2 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Tyrosine-protein kinase JAK1 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Mitogen-activated protein kinase 3 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Cyclin-dependent kinase 8 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Liver | 1 |
Data from ChEMBL 36 via Core Engine