Compound Detail
CHEMBL4857229
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Basic Information
| ChEMBL ID | CHEMBL4857229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSIAIRQSYURWTI-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.9
MW (Da)
4.13
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.68 | 7.68 | 20.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 20.75 | nM | 7.68 | Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of... | 34477384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34477384 | 10.1021/acs.jmedchem.1c01148 | CDK9/cyclin T1 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 2 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 4 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 6 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine