Compound Detail
CHEMBL334405
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
O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL334405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGJXIKNPRCLINN-YWEHKCAJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
4.14
ALogP
4
HBA
3
HBD
108.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 4.5 | nM | 8.35 | Inhibition of human cathepsin L. | 9784105 |
| Cathepsin B | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of human cathepsin B | 9784105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784105 | 10.1021/jm9803065 | Procathepsin L | 1 |
| 9784105 | 10.1021/jm9803065 | Cathepsin B | 1 |
| 9784105 | 10.1021/jm9803065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine