Compound Detail
CHEMBL364001
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
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(NS(C)(=O)=O)c3)[nH]c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL364001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLWNEJQTLIBFGL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
526.8
MW (Da)
4.59
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Cyclin-dependent kinase 4-cyclin D1 | 15537345 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 260.0 | nM | 6.58 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 15537345 |
| HCT-116 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of human colon carcinoma cell (HCT116) proliferation | 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 |
| 15537345 | 10.1021/jm020455u | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine