Compound Detail
CHEMBL389691
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Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1
Basic Information
| ChEMBL ID | CHEMBL389691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBINJYYFUVHVNU-UPVQGACJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
3.67
ALogP
7
HBA
3
HBD
142.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.79 | 6.79 | 162.0 | 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 | = | 162.0 | nM | 6.79 | Inhibition of pTACE | 17368021 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | 72 kDa type IV collagenase | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Macrophage metalloelastase | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Interstitial collagenase | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine