Compound Detail
CHEMBL5996041
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CNC(=O)c1ccccc1Sc1ccc2c(C#Cc3ccc(NC(=O)NCCOCCOCCN4CCOCC4)cc3)n[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL5996041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBDSHDOWIJROKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
642.8
MW (Da)
3.96
ALogP
8
HBA
4
HBD
129.8
PSA (Ų)
0.13
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6.1 | nM | 8.21 | Kinase Inhibition Assay: Measurement of the kinase inhibitory activity of each c... | - |
Data from ChEMBL 36 via Core Engine