Compound Detail
CHEMBL5198747
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Basic Information
| ChEMBL ID | CHEMBL5198747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJIAMGWMCRSERX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.36
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.5 | 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 | = | 530.0 | nM | 6.28 | Inhibition of recombinant full length His tagged human CDK8/Cyclin C expressed i... | 35536548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35536548 | 10.1021/acs.jmedchem.2c00356 | CDK8/Cyclin C | 2 |
| 35536548 | 10.1021/acs.jmedchem.2c00356 | BMDC | 1 |
| 35536548 | 10.1021/acs.jmedchem.2c00356 | Unchecked | 1 |
| 35536548 | 10.1021/acs.jmedchem.2c00356 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine