Compound Detail
CHEMBL443198
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 | CHEMBL443198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPWCZMMPBBEBJG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
0.73
ALogP
4
HBA
4
HBD
107.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| HCT-116 | IC50 | = | 33000.0 | nM | 4.48 | Antiproliferative activity against human HCT116 cells assessed as cell viability... | 18656911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| 18656911 | 10.1021/jm800382h | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine