Compound Detail
CHEMBL595756
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 | CHEMBL595756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQVHFOPMRIIBJO-JGQIHZOTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
5.98
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 5.46 | 5.46 | 3470.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 3470.0 | nM | 5.46 | Antiangiogenic activity against HUVECs by Brdu incorporation assay | 19762246 |
| MDA-MB-435 | IC50 | = | 14000.0 | nM | 4.85 | Antiproliferative activity against human MDA-MB-435 cells by Brdu incorporation ... | 19762246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19762246 | 10.1016/j.bmc.2009.08.038 | MCF7 | 1 |
| 19762246 | 10.1016/j.bmc.2009.08.038 | HUVEC | 1 |
| 19762246 | 10.1016/j.bmc.2009.08.038 | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine