Compound Detail
CHEMBL1761934
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Basic Information
| ChEMBL ID | CHEMBL1761934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XENAFWVEGOOYMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
5.04
ALogP
7
HBA
3
HBD
106.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.15 | 5.15 | 7150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation a... | 21353546 |
| MCF7 | IC50 | = | 7150.0 | nM | 5.15 | Antiproliferative activity against human MCF7 cells at 10 uM after 72 hrs by MTS... | 21353546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Epidermal growth factor receptor | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Vascular endothelial growth factor receptor 2 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | MCF7 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | PC-3 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | HT-29 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine