Compound Detail
CHEMBL2348353
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Basic Information
| ChEMBL ID | CHEMBL2348353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDNUXPKGFGSPGC-UHFFFAOYSA-N |
6
Targets
7
Activities
3
Assay Types
5
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
2.32
ALogP
7
HBA
2
HBD
108.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.75
EC50 2 meas. best 7.6
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 8/19 CHEMBL3885556 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cyclin-dependent kinase 19 CHEMBL6002 | Kd | 7.75 | 7.75 | 18.0 | 1 |
| Cyclin-dependent kinase 8/19 CHEMBL3885556 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| CDK8/CDK19 CHEMBL4888455 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Kd | 7.26 | 7.26 | 55.0 | 1 |
| Serine/threonine-protein kinase RIO2 CHEMBL6000 | Kd | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 36.7 | ng.hr.mL-1 | Mus musculus |
| AUC | 585.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 77.33 | nM | Mus musculus |
| T1/2 | 0.62 | hr | Mus musculus |
| T1/2 | 0.3 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 8/19 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK8/CDK19 in HEK293 cells by NF-kappaB reporter assay | - |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibition of prostate specific antigen (PSA) expression in human LNCaP C4-2 cel... | - |
| Cyclin-dependent kinase 19 | Kd | = | 18.0 | nM | 7.75 | Inhibition of human CDK11 by DiscoverX assay | - |
| CDK8/CDK19 | EC50 | = | 25.0 | nM | 7.6 | Inhibition of CDK8/CDK19 assessed as rescue of proliferation of RPS19-deficient ... | - |
| Cyclin-dependent kinase 8/19 | EC50 | = | 25.0 | nM | 7.6 | The CDK8/CDK19 Inhibitor DBA-8 Rescues Proliferation of RPS19-Deficient Erythroi... | - |
| Cyclin-dependent kinase 8 | Kd | = | 55.0 | nM | 7.26 | Inhibition of human CDK8 by DiscoverX assay | - |
| Serine/threonine-protein kinase RIO2 | Kd | = | 130.0 | nM | 6.89 | Inhibition of human RIOK2 by DiscoverX assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23453217 | 10.1016/j.bmc.2013.01.071 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine