Compound Detail
CHEMBL5881155
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CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(S(=O)(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5881155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPJAUHSLJCUGAH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
5.23
ALogP
6
HBA
1
HBD
89.5
PSA (Ų)
0.53
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.22 | nM | 9.66 | In vitro kinase inhibition assay: An in vitro kinase assay was performed to eval... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 0.42 | nM | 9.38 | In vitro kinase inhibition assay: An in vitro kinase assay was performed to eval... | - |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 0.6 | nM | 9.22 | In vitro kinase inhibition assay: An in vitro kinase assay was performed to eval... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.1 | nM | 8.68 | In vitro kinase inhibition assay: An in vitro kinase assay was performed to eval... | - |
Data from ChEMBL 36 via Core Engine