Compound Detail
CHEMBL412796
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Basic Information
| ChEMBL ID | CHEMBL412796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQXRLQZSXRETEV-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
2.25
ALogP
5
HBA
1
HBD
49.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | Ki | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 530.0 | nM | 6.28 | Inhibition of TNF-alpha converting enzyme | 17289381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17289381 | 10.1016/j.bmcl.2007.01.064 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine