Compound Detail
CHEMBL3945318
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O=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL3945318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHYAOULYMNYCJH-FMIVXFBMSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.9
MW (Da)
6.27
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.54
Ki 1 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.54 | 8.2167 | 2.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.54 | nM | 9.27 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 2.9 | nM | 8.54 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| NON-PROTEIN TARGET | IC50 | = | 3.4 | nM | 8.47 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 23.0 | nM | 7.64 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine