Compound Detail
CHEMBL5792040
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CCN1CCN(C(=O)N2CC(CC(=O)NO)(NS(=O)(=O)c3ccc(OCc4cc(C)nc5ccccc45)cc3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL5792040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYZIOXGUGOINKU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
596.7
MW (Da)
2.11
ALogP
8
HBA
3
HBD
144.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 5.6 | nM | 8.25 | TR-FRET Assay: Activity of the compounds was investigated using TACE (ADAM17) is... | - |
Data from ChEMBL 36 via Core Engine