Compound Detail
CHEMBL188251
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Basic Information
| ChEMBL ID | CHEMBL188251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUKDMFKMSMVIDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.7
MW (Da)
4.93
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 15537345 |
| HCT-116 | IC50 | = | 5500.0 | nM | 5.26 | 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