Compound Detail
CHEMBL220890
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Basic Information
| ChEMBL ID | CHEMBL220890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMSUAYIHWVITQX-QPSGOUHRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
2.12
ALogP
7
HBA
3
HBD
118.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.49 | 6.49 | 323.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 6.43 | 6.43 | 372.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.39 | 6.39 | 406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of VEGFR2 | 16979339 |
| HCT-116 | IC50 | = | 323.0 | nM | 6.49 | Antiproliferative activity against HCT116 cells | 16979339 |
| A-375 | IC50 | = | 372.0 | nM | 6.43 | Antiproliferative activity against A375 cells | 16979339 |
| HeLa | IC50 | = | 406.0 | nM | 6.39 | Antiproliferative activity against HeLa cells | 16979339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16979339 | 10.1016/j.bmcl.2006.08.107 | Vascular endothelial growth factor receptor 2 | 1 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | HeLa | 1 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | HCT-116 | 1 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine