Compound Detail
CHEMBL387313
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Basic Information
| ChEMBL ID | CHEMBL387313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBOIGEMDWWVEJC-FBCYGCLPSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.31
ALogP
6
HBA
2
HBD
98.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.84 | 6.7 | 146.0 | 2 |
| A-375 CHEMBL613859 | IC50 | 6.11 | 6.11 | 783.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.73 | 5.73 | 1871.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.45 | 5.45 | 3522.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of VEGFR2 (unknown origin) | 27068889 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 276.0 | nM | 6.56 | Inhibition of VEGFR2 | 16979339 |
| A-375 | IC50 | = | 783.0 | nM | 6.11 | Antiproliferative activity against A375 cells | 16979339 |
| HeLa | IC50 | = | 1871.0 | nM | 5.73 | Antiproliferative activity against HeLa cells | 16979339 |
| HCT-116 | IC50 | = | 3522.0 | nM | 5.45 | Antiproliferative activity against HCT116 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 |
| 27068889 | 10.1016/j.bmc.2016.03.061 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine