Compound Detail
CHEMBL3828637
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3828637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFYVDBLGPYTIAT-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
1.94
ALogP
5
HBA
1
HBD
92.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.05
EC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 9.05 | 9.05 | 0.9 | 2 |
| Cyclin-dependent kinase 8 CHEMBL5719 | IC50 | 9.05 | 8.91 | 0.9 | 2 |
| Unchecked CHEMBL612545 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 76.0 | mL.min-1.g-1 | Mus musculus |
| CL | 142.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 15.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 193.33 | mL.min-1.kg-1 | Mus musculus |
| F | 16.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 0.9 | nM | 9.05 | Competitive binding affinity to full length His-tagged human recombinant CDK8/cy... | 27326329 |
| Cyclin-dependent kinase 8 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of CDK8 (unknown origin) | 32071678 |
| CDK8/Cyclin C | IC50 | = | 0.9 | nM | 9.05 | Inhibition of CDK8/Cyclin C (unknown origin) measured after 1 hr by plate reader... | 34147745 |
| Cyclin-dependent kinase 8 | IC50 | = | 1.7 | nM | 8.77 | Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincub... | 27326329 |
| Unchecked | EC50 | = | 9.0 | nM | 8.05 | Inhibition of mouse derived homozygous Tg0N4R P301S mutant tau-induced human ON4... | 32071678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27326329 | 10.1021/acsmedchemlett.6b00022 | ADMET | 3 |
| 27326329 | 10.1021/acsmedchemlett.6b00022 | Mus musculus | 3 |
| 27326329 | 10.1021/acsmedchemlett.6b00022 | CDK8/Cyclin C | 1 |
| 27326329 | 10.1021/acsmedchemlett.6b00022 | Cyclin-dependent kinase 8 | 1 |
| 27326329 | 10.1021/acsmedchemlett.6b00022 | Aldehyde oxidase | 1 |
| 32071678 | 10.1021/acsmedchemlett.9b00480 | Unchecked | 1 |
| 32071678 | 10.1021/acsmedchemlett.9b00480 | Cyclin-dependent kinase 8 | 1 |
| 34147745 | 10.1016/j.ejmech.2021.113634 | CDK8/Cyclin C | 1 |
Data from ChEMBL 36 via Core Engine