Compound Detail
CHEMBL4644434
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Basic Information
| ChEMBL ID | CHEMBL4644434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRIWIRSMQRQYJG-IRXDYDNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
1.59
ALogP
8
HBA
5
HBD
114.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDK2 (unknown origin) | 32150405 |
| Cyclin-dependent kinase 7 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of CDK7 (unknown origin) | 32150405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 7 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine