Compound Detail
CHEMBL1688357
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Basic Information
| ChEMBL ID | CHEMBL1688357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGJOSKYJJHSHNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
5.15
ALogP
7
HBA
3
HBD
97.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of bovine tubulin polymerization after 30 mins by turbidity assay | 24900236 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of VEGFR-2 kinase assessed as phosphorylated level of pGAT-biotin pep... | 24900236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900236 | 10.1021/ml1001568 | Vascular endothelial growth factor receptor 2 | 2 |
| 24900236 | 10.1021/ml1001568 | Unchecked | 1 |
| 24900236 | 10.1021/ml1001568 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine