Compound Detail
CHEMBL5402477
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Basic Information
| ChEMBL ID | CHEMBL5402477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWZWPBNBNAGTCG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
4.52
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 536.3 | mL.min-1.kg-1 | Mus musculus |
| CL | 59.2 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 0.71 | nM | 9.15 | Inhibition of His tagged human recombinant CDK8/Cyclin C expressed in baculoviru... | 37029334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37029334 | 10.1021/acs.jmedchem.2c01718 | ADMET | 2 |
| 37029334 | 10.1021/acs.jmedchem.2c01718 | CDK8/Cyclin C | 1 |
| 37029334 | 10.1021/acs.jmedchem.2c01718 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine