Compound Detail
CHEMBL231612
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CNC(=O)c1cccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)cc4)csc23)c1
Basic Information
| ChEMBL ID | CHEMBL231612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQRHVKHSCRMNFY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
6.52
ALogP
5
HBA
4
HBD
109.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
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 | 7.605 | 11.0 | 2 |
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 KDR | 17188869 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human KDR phosphorylation in NIH3T3 cells | 17188869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Vascular endothelial growth factor receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine