Compound Detail
CHEMBL3586050
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Basic Information
| ChEMBL ID | CHEMBL3586050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCYHSQUZWUNKPR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.2
MW (Da)
6.05
ALogP
3
HBA
2
HBD
63.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SMMC-7721 CHEMBL613831 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SMMC-7721 | IC50 | = | 1830.0 | nM | 5.74 | Cytotoxicity against human SMMC7721 cells assessed as growth inhibition after 48... | 25982075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25982075 | 10.1016/j.bmc.2015.04.071 | Vascular endothelial growth factor receptor 2 | 1 |
| 25982075 | 10.1016/j.bmc.2015.04.071 | A549 | 1 |
| 25982075 | 10.1016/j.bmc.2015.04.071 | SMMC-7721 | 1 |
Data from ChEMBL 36 via Core Engine