Compound Detail
CHEMBL228319
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(COc2ccc(C(=O)Nc3ccccc3Cc3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1
Basic Information
| ChEMBL ID | CHEMBL228319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLYVYZOSMYXOBC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
4.98
ALogP
4
HBA
3
HBD
99.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 5.8 | 5.8 | 1600.0 | 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 | = | 1600.0 | nM | 5.8 | 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 | Stromelysin-1 | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Matrilysin | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Collagenase 3 | 1 |
| 17368021 | 10.1016/j.bmcl.2007.02.076 | Macrophage metalloelastase | 1 |
Data from ChEMBL 36 via Core Engine