Compound Detail
CHEMBL1707447
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CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL1707447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEUSJJGHXMVCOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
2.63
ALogP
7
HBA
1
HBD
113.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.95 | 4.95 | 11362.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11362.0 | nM | 4.95 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine