Compound Detail
CHEMBL4559317
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 | CHEMBL4559317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWPWGKLUIPKSHD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595190 |
| Active Moiety | CHEMBL4595190 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-1 CHEMBL2319 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| Kallikrein-5 CHEMBL4447 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-1 | IC50 | = | 501.19 | nM | 6.3 | Inhibition of human recombinant N-terminal His-tagged and enterokinase cleavage ... | 31521475 |
| Kallikrein-5 | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus... | 31521475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31521475 | 10.1016/j.bmcl.2019.126675 | Kallikrein-5 | 1 |
| 31521475 | 10.1016/j.bmcl.2019.126675 | Kallikrein-1 | 1 |
Data from ChEMBL 36 via Core Engine