Compound Detail
CHEMBL225248
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Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1
Basic Information
| ChEMBL ID | CHEMBL225248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGFXSKQDBRUULO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
5.43
ALogP
5
HBA
2
HBD
67.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.84 | 6.82 | 146.0 | 4 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 5.33 | 5.33 | 4718.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 4.83 | 4.83 | 14735.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of KDR phosphorylation in NIH3T3 cells by ELISA | 16759855 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T... | 17425296 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 159.0 | nM | 6.8 | Inhibition of KDR at 1 mM ATP by HTRF assay | 16759855 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 159.0 | nM | 6.8 | Inhibition of human KDR kinase by HTRF assay | 17425296 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 4718.0 | nM | 5.33 | Inhibition of FLT1 at 1 mM ATP by HTRF assay | 16759855 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 14735.0 | nM | 4.83 | Inhibition of cKit at 1 mM ATP by HTRF assay | 16759855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759855 | 10.1016/j.bmcl.2006.05.066 | Vascular endothelial growth factor receptor 2 | 2 |
| 17425296 | 10.1021/jm061223o | Vascular endothelial growth factor receptor 2 | 2 |
| 16759855 | 10.1016/j.bmcl.2006.05.066 | Mast/stem cell growth factor receptor Kit | 1 |
| 16759855 | 10.1016/j.bmcl.2006.05.066 | Vascular endothelial growth factor receptor 1 | 1 |
| 17425296 | 10.1021/jm061223o | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine