Compound Detail
CHEMBL338264
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 | CHEMBL338264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGVIDEBVTXXEDX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
3.19
ALogP
3
HBA
3
HBD
90.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the... | 14552791 |
| HCT-116 | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of human HCT(colon) carcinoma cell proliferation | 14552791 |
| NCI-H460 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of human NCI-H460 (lung) carcinoma cell proliferation | 14552791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552791 | 10.1016/s0960-894x(03)00791-1 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 14552791 | 10.1016/s0960-894x(03)00791-1 | HCT-116 | 1 |
| 14552791 | 10.1016/s0960-894x(03)00791-1 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine