Compound Detail
CHEMBL5956457
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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(C(=O)N=S(=O)(CCCO)CCCO)cnc3N)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5956457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJUVGHBXIGDLKW-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
3.80
ALogP
7
HBA
5
HBD
167.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.58 | 7.1933 | 26.0 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.58 | 7.3867 | 26.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 26.0 | nM | 7.58 | Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 26.0 | nM | 7.58 | Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 26.0 | nM | 7.58 | VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 100.0 | nM | 7.0 | Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 100.0 | nM | 7.0 | PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we... | - |
Data from ChEMBL 36 via Core Engine