Compound Detail
CHEMBL365247
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 | CHEMBL365247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOOZILOLHOKUGO-PKOBYXMFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
1.07
ALogP
7
HBA
3
HBD
129.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibitory concentration against MMP-13 | 15953722 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 7.1 | nM | 8.15 | Inhibitory concentration against TNF-alpha release in LPS treated whole blood | 15953722 |
| Interstitial collagenase | IC50 | = | 190.0 | nM | 6.72 | Inhibitory concentration against MMP-1 | 15953722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15953722 | 10.1016/j.bmcl.2005.05.037 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 15953722 | 10.1016/j.bmcl.2005.05.037 | Unchecked | 1 |
| 15953722 | 10.1016/j.bmcl.2005.05.037 | Interstitial collagenase | 1 |
| 15953722 | 10.1016/j.bmcl.2005.05.037 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine