Compound Detail
CHEMBL3309804
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 | CHEMBL3309804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLUOYYKTIZVFDY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
5.86
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.63
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin H CHEMBL3309115 | Ki | 5.63 | 5.63 | 2346.0 | 1 |
| Cathepsin H CHEMBL3309115 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Cathepsin B CHEMBL3232689 | Ki | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin H | Ki | = | 2346.0 | nM | 5.63 | Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by L... | 24913985 |
| Cathepsin H | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of goat liver cathepsin H using Leu-betaNA substrate pre-incubated 30... | 24913985 |
| Cathepsin B | Ki | = | 17800.0 | nM | 4.75 | Competitive inhibition of goat liver cathepsin B using BANA substrate by Linewea... | 24913985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24913985 | 10.1016/j.bmc.2014.05.037 | Cathepsin H | 3 |
| 24913985 | 10.1016/j.bmc.2014.05.037 | Cathepsin B | 2 |
Data from ChEMBL 36 via Core Engine