Compound Detail
CHEMBL5559097
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Basic Information
| ChEMBL ID | CHEMBL5559097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMCZSPLOTVSBEU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.2
MW (Da)
3.63
ALogP
5
HBA
1
HBD
42.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.41 | 7.41 | 39.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 7.9 | nM | 8.1 | Displacement of tracer 236 from CDK8/cyclin C (unknown origin) preincubated for ... | 38690856 |
| MV4-11 | IC50 | = | 39.4 | nM | 7.41 | Antiproliferative activity against human MV4-11 cells incubated for 5 days by Ce... | 38690856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38690856 | 10.1021/acs.jmedchem.4c00248 | CDK8/Cyclin C | 1 |
| 38690856 | 10.1021/acs.jmedchem.4c00248 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine