Compound Detail
CHEMBL3951790
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Cc1cccc(C(=O)Nc2cccc(N(C)c3ccc4c(/C=C/c5ccc6c(c5)OCO6)n[nH]c4c3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3951790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHPAHSYPAIYQRU-UKTHLTGXSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
6.79
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.33
Ki 1 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.47 | 9.47 | 0.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.33 | 7.59 | 4.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.34 | nM | 9.47 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 4.7 | nM | 8.33 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 140.0 | nM | 6.85 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine