Compound Detail
CHEMBL3237776
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 | CHEMBL3237776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMGXWNSSMGAHCA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
0.30
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Ki 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin D CHEMBL2581 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Plasmepsin II CHEMBL4414 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cathepsin B CHEMBL3232689 | Ki | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin II | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Le... | 31062983 |
| Cathepsin D | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human liver cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-P... | 31062983 |
| Cathepsin B | Ki | = | 12700.0 | nM | 4.9 | Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-ar... | 24642566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Unchecked | 2 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Cathepsin B | 2 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Cathepsin H | 1 |
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin II | 1 |
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine