Compound Detail
CHEMBL195955
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Basic Information
| ChEMBL ID | CHEMBL195955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHMGFCASMVCMMO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
5.66
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.34 | 7.34 | 45.7 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.89 | 6.89 | 128.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 46.0 | nM | 7.34 | Inhibitory concentration against human KDR kinase expressed in NIH3T3 cells with... | 16162008 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 45.71 | nM | 7.34 | Inhibition of KDR | 17293140 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration against cKit with 4 uM Biotin-Ahx-AEEEYFFLFA-amide for ... | 16162008 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 50.12 | nM | 7.3 | Inhibition of cKIT | 17293140 |
| Angiopoietin-1 receptor | IC50 | = | 130.0 | nM | 6.89 | Inhibitory concentration against TIE2 using biotinylated poly(Glu-Tyr) (10 ng/we... | 16162008 |
| Angiopoietin-1 receptor | IC50 | = | 128.82 | nM | 6.89 | Inhibition of Tie2 | 17293140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162008 | 10.1021/jm050458h | Vascular endothelial growth factor receptor 2 | 1 |
| 16162008 | 10.1021/jm050458h | Mast/stem cell growth factor receptor Kit | 1 |
| 16162008 | 10.1021/jm050458h | Angiopoietin-1 receptor | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Vascular endothelial growth factor receptor 2 | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Mast/stem cell growth factor receptor Kit | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine