Compound Detail
CHEMBL5567183
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CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL5567183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLVRHQFXQFSBQK-BCXZNTRWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
593.7
MW (Da)
2.43
ALogP
8
HBA
4
HBD
164.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | Ki | 6.53 | 6.53 | 293.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | Ki | = | 293.2 | nM | 6.53 | Inhibition of Cathepsin L (unknown origin) assessed as inhibition constant using... | 38630165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38630165 | 10.1021/acs.jmedchem.3c02351 | Procathepsin L | 2 |
Data from ChEMBL 36 via Core Engine