Compound Detail
CHEMBL595896
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Basic Information
| ChEMBL ID | CHEMBL595896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CETJFKFFUITIEB-HRJSJKBJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
4.22
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 4.22 | 4.22 | 60050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 60050.0 | nM | 4.22 | Antiangiogenic activity against HUVECs by Brdu incorporation assay | 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 |
| 19762246 | 10.1016/j.bmc.2009.08.038 | NON-PROTEIN TARGET | 1 |
| 19762246 | 10.1016/j.bmc.2009.08.038 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine