Compound Detail
CHEMBL4072496
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Basic Information
| ChEMBL ID | CHEMBL4072496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGLBZRZEQTVNDN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.7
MW (Da)
1.83
ALogP
2
HBA
2
HBD
71.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 8.3 | 8.225 | 5.0 | 2 |
| AGS CHEMBL613860 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed i... | 28802632 |
| CDK8/Cyclin C | IC50 | = | 7.0 | nM | 8.15 | Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed i... | 28302507 |
| AGS | IC50 | = | 370.0 | nM | 6.43 | Antiproliferative activity against human AGS cells after 72 hrs by MTT assay | 28802632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28302507 | 10.1016/j.bmc.2017.02.038 | CDK8/Cyclin C | 1 |
| 28802632 | 10.1016/j.bmcl.2017.07.080 | AGS | 1 |
| 28802632 | 10.1016/j.bmcl.2017.07.080 | CDK8/Cyclin C | 1 |
Data from ChEMBL 36 via Core Engine