Compound Detail
CHEMBL223892
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Basic Information
| ChEMBL ID | CHEMBL223892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDKPDBZFOGBUBU-QPSGOUHRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
3.15
ALogP
6
HBA
2
HBD
98.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| HeLa CHEMBL399 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against A375 cells | 16979339 |
| HeLa | IC50 | = | 32.0 | nM | 7.5 | Antiproliferative activity against HeLa cells | 16979339 |
| HCT-116 | IC50 | = | 36.0 | nM | 7.44 | Antiproliferative activity against HCT116 cells | 16979339 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of VEGFR2 | 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 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | Fibroblast growth factor receptor | 1 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | Platelet-derived growth factor receptor | 1 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | Angiopoietin-1 receptor | 1 |
| 16979339 | 10.1016/j.bmcl.2006.08.107 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine