Compound Detail
CHEMBL190495
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Basic Information
| ChEMBL ID | CHEMBL190495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCDIEXQFDCIFMP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.94
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.33 | 9.33 | 0.5 | 1 |
| Adenosine deaminase CHEMBL2966 | Ki | 9.33 | 9.33 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 0.47 | nM | 9.33 | Inhibitory constant against bovine spleen Adenosine deaminase | 16078836 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.47 | nM | 9.33 | Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorptio... | 21306896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078836 | 10.1021/jm050136d | Adenosine deaminase | 1 |
| 21306896 | 10.1016/j.bmcl.2011.01.037 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine