Compound Detail
CHEMBL271861
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Cc1csc(C(=O)c2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)c1
Basic Information
| ChEMBL ID | CHEMBL271861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCTPAZULGKKAQA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
5.79
ALogP
6
HBA
1
HBD
68.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of VEGFR2 | 18343109 |
| Angiopoietin-1 receptor | IC50 | = | 43.0 | nM | 7.37 | Inhibition of TIE2 | 18343109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343109 | 10.1016/j.bmcl.2008.02.069 | Vascular endothelial growth factor receptor 2 | 2 |
| 18343109 | 10.1016/j.bmcl.2008.02.069 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine