Compound Detail
CHEMBL393944
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C#CCN1CCN(C2(CNC(=O)c3ccc(OCc4cc(C)nc5ccccc45)cc3)C(=O)NC(=O)NC2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL393944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCRBDLJEZXPESB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
554.6
MW (Da)
1.21
ALogP
8
HBA
3
HBD
133.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3332 | IC50 | 7.21 | 7.21 | 62.0 | 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 | = | 62.0 | nM | 7.21 | Inhibition of porcine TACE | 17027261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17027261 | 10.1016/j.bmcl.2006.09.048 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 17027261 | 10.1016/j.bmcl.2006.09.048 | 72 kDa type IV collagenase | 1 |
| 17027261 | 10.1016/j.bmcl.2006.09.048 | Stromelysin-1 | 1 |
| 17027261 | 10.1016/j.bmcl.2006.09.048 | Matrilysin | 1 |
| 17027261 | 10.1016/j.bmcl.2006.09.048 | Macrophage metalloelastase | 1 |
| 17027261 | 10.1016/j.bmcl.2006.09.048 | Unchecked | 1 |
| 17027261 | 10.1016/j.bmcl.2006.09.048 | Blood | 1 |
Data from ChEMBL 36 via Core Engine