Compound Detail
CHEMBL2312193
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Basic Information
| ChEMBL ID | CHEMBL2312193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSSKMDOTUWJHLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
4.96
ALogP
8
HBA
2
HBD
105.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | Ki | 5.01 | 5.01 | 9835.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | Ki | = | 9835.0 | nM | 5.01 | Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by d... | 23252711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23252711 | 10.1021/jm301495v | CDK9/cyclin T1 | 2 |
| 23252711 | 10.1021/jm301495v | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23301767 | 10.1021/jm301475f | HCT-116 | 1 |
| 23301767 | 10.1021/jm301475f | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 23301767 | 10.1021/jm301475f | Cyclin-dependent kinase 2/cyclin A | 1 |
| 23301767 | 10.1021/jm301475f | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 23301767 | 10.1021/jm301475f | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine