Compound Detail
CHEMBL180197
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
Basic Information
| ChEMBL ID | CHEMBL180197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNTZVOSILJPSFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
1.05
ALogP
7
HBA
2
HBD
133.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 7.06 | 7.06 | 88.0 | 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 | = | 68.0 | nM | 7.17 | Inhibitory concentration against TNF-alpha converting enzyme at 1 uM | 15745814 |
| Collagenase 3 | IC50 | = | 88.0 | nM | 7.06 | Inhibitory concentration against Matrix metalloprotease-13 at 1 uM | 15745814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Interstitial collagenase | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Collagenase 3 | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | THP-1 | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine