Compound Detail
CHEMBL3747618
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 | CHEMBL3747618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDQQQBAXCWRZGU-OLZOCXBDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
0.62
ALogP
6
HBA
5
HBD
150.1
PSA (Ų)
0.16
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease hepsin CHEMBL2079849 | Ki | 7.67 | 7.67 | 21.5 | 1 |
| Suppressor of tumorigenicity 14 protein homolog CHEMBL3745587 | Ki | 6.61 | 6.61 | 246.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease hepsin | Ki | = | 21.5 | nM | 7.67 | Inhibition of human recombinant hepsin using Boc-QAR-AMC as substrate preincubat... | 26711145 |
| Suppressor of tumorigenicity 14 protein homolog | Ki | = | 246.0 | nM | 6.61 | Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preinc... | 26711145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26711145 | 10.1016/j.bmcl.2015.12.023 | Serine protease hepsin | 1 |
| 26711145 | 10.1016/j.bmcl.2015.12.023 | Suppressor of tumorigenicity 14 protein homolog | 1 |
| 26711145 | 10.1016/j.bmcl.2015.12.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine