Compound Detail
CHEMBL5195298
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Basic Information
| ChEMBL ID | CHEMBL5195298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVYCGAZFWIFVEN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.8
MW (Da)
5.83
ALogP
6
HBA
1
HBD
48.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 1410.0 | nM | 5.85 | Inhibition of human recombinant full length His-tagged CDK9/Cyclin T1 expressed ... | 35597007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 11A | 1 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | CDK6/cyclin D1 | 1 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine