Compound Detail
CHEMBL3236668
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Basic Information
| ChEMBL ID | CHEMBL3236668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDICCECAPKBDBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
2.78
ALogP
8
HBA
4
HBD
141.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 3400.0 | nM | 5.47 | Growth inhibition of HUVEC by WST-8 assay | 24601669 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of recombinant human VEGFR2 | 24601669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24601669 | 10.1021/np401046z | HUVEC | 3 |
| 24601669 | 10.1021/np401046z | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine