Compound Detail
CHEMBL191077
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CCOC(=O)Cc1cccc(Cc2nc3c(c(CC)nn3-c3c(Cl)cc(Cl)cc3Cl)c(=O)[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL191077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZHDLDXIEMGQNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.8
MW (Da)
5.33
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 15537345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 2/cyclin E | 1 |
Data from ChEMBL 36 via Core Engine