Compound Detail
CHEMBL2010875
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COc1ccnc(Nc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)n1
Basic Information
| ChEMBL ID | CHEMBL2010875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTZNASBUQWXEGG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.74
ALogP
8
HBA
2
HBD
98.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression syst... | 22148921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148921 | 10.1021/jm201449n | Vascular endothelial growth factor receptor 2 | 2 |
| 22148921 | 10.1021/jm201449n | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine