Compound Detail
CHEMBL5943919
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COC(=O)CCCC[S@](C)(=O)=NC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4ccc(F)c(Cl)c4)ccc3s2)c1
Basic Information
| ChEMBL ID | CHEMBL5943919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCPXTLXXRRQODN-WBCKFURZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
632.1
MW (Da)
6.56
ALogP
8
HBA
3
HBD
152.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 4.0 | nM | 8.4 | Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... | - |
Data from ChEMBL 36 via Core Engine