Compound Detail
CHEMBL4855785
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4855785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQCXLUNOPQPYFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.47
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.85 | 7.85 | 14.2 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.83 | 6.83 | 146.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 14.21 | nM | 7.85 | Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of... | 34477384 |
| Cyclin-dependent kinase 2 | IC50 | = | 146.85 | nM | 6.83 | Inhibition of CDK2 (unknown origin) | 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