Compound Detail
CHEMBL5567321
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Basic Information
| ChEMBL ID | CHEMBL5567321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITYQBQOTUYAYCQ-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
2.67
ALogP
11
HBA
3
HBD
135.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK12/Cyclin K CHEMBL4106169 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK12/Cyclin K | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human CDK12/Cyclin K using RNA Pol II-CTD as substrate... | 38061230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38061230 | 10.1016/j.ejmech.2023.116014 | CDK12/Cyclin K | 1 |
| 38061230 | 10.1016/j.ejmech.2023.116014 | SK-BR-3 | 1 |
| 38061230 | 10.1016/j.ejmech.2023.116014 | HCC1954 | 1 |
Data from ChEMBL 36 via Core Engine