Compound Detail
CHEMBL1630099
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Basic Information
| ChEMBL ID | CHEMBL1630099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OORDDBSQINIMJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.18
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.48 | 7.48 | 32.8 | 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 | = | 32.82 | nM | 7.48 | Inhibition of human TACE by fluorescent spectroscopy | 21078557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21078557 | 10.1016/j.bmc.2010.10.006 | Disintegrin and metalloproteinase domain-containing protein 17 | 2 |
| 21078557 | 10.1016/j.bmc.2010.10.006 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine