Compound Detail
CHEMBL5852735
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Cc1cc(COc2ccc(S(=O)(=O)NC3(CC(=O)NO)CN(C(=O)N4CCN(C)CC4)C3)cc2)c2ccccc2n1
Basic Information
| ChEMBL ID | CHEMBL5852735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJAPQSNDPHYWTL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
582.7
MW (Da)
1.72
ALogP
8
HBA
3
HBD
144.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.55 | 8.55 | 2.8 | 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 | = | 2.8 | nM | 8.55 | TR-FRET Assay: Activity of the compounds was investigated using TACE (ADAM17) is... | - |
Data from ChEMBL 36 via Core Engine