Compound Detail
CHEMBL342076
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Basic Information
| ChEMBL ID | CHEMBL342076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKXZGTYAPMUIFV-VLIAUNLRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.04
ALogP
5
HBA
2
HBD
91.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3332 | IC50 | 7.68 | 7.68 | 21.0 | 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 | = | 5.9 | nM | 8.23 | Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whol... | 12408705 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity against porcine Tumor necrosis factor alpha converting enzym... | 12408705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408705 | 10.1021/jm0255670 | Disintegrin and metalloproteinase domain-containing protein 17 | 2 |
Data from ChEMBL 36 via Core Engine