Compound Detail
CHEMBL270558
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Basic Information
| ChEMBL ID | CHEMBL270558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQLUSPJMTIROIO-CVDCTZTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.06
ALogP
6
HBA
2
HBD
97.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | Ki | 7.92 | 7.92 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 12.0 | nM | 7.92 | Inhibition of human recombinant TACE | 18247549 |
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 12.0 | nM | 7.92 | Inhibition of TACE | 18790648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247549 | 10.1021/jm070376o | Unchecked | 7 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Unchecked | 7 |
| 18247549 | 10.1021/jm070376o | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine