Compound Detail
CHEMBL2011750
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 | CHEMBL2011750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGBZFHXWPPQSHR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
626.2
MW (Da)
4.62
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-1 CHEMBL2319 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Acrosin CHEMBL3243910 | Ki | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-1 | Ki | = | 31.0 | nM | 7.51 | Inhibition of human kallikrein 1 | 22386244 |
| Acrosin | Ki | = | 280.0 | nM | 6.55 | Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as ... | 722718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386244 | 10.1016/j.bmcl.2012.02.014 | Kallikrein-1 | 1 |
| 722718 | 10.1021/jm00209a008 | Acrosin | 1 |
Data from ChEMBL 36 via Core Engine