Compound Detail
CHEMBL379469
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 | CHEMBL379469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGMJBXNPPIZSAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
1.65
ALogP
6
HBA
3
HBD
120.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.08 | 8.08 | 8.3 | 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 | = | 8.3 | nM | 8.08 | Inhibitory activity against TACE | 16289878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289878 | 10.1016/j.bmcl.2005.10.078 | 72 kDa type IV collagenase | 1 |
| 16289878 | 10.1016/j.bmcl.2005.10.078 | Interstitial collagenase | 1 |
| 16289878 | 10.1016/j.bmcl.2005.10.078 | Collagenase 3 | 1 |
| 16289878 | 10.1016/j.bmcl.2005.10.078 | Matrix metalloproteinase-9 | 1 |
| 16289878 | 10.1016/j.bmcl.2005.10.078 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine