Compound Detail
CHEMBL418661
E-64C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL418661 |
| Name | E-64C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCMSYZJDIQPSDI-SRVKXCTJSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
0.53
ALogP
4
HBA
3
HBD
108.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Ki 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL4072 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Papain CHEMBL4779 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Calpain-9 CHEMBL4523126 | IC50 | 4.45 | 4.45 | 35830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | Ki | = | 3.36 | nM | 8.47 | Inhibition of cathepsin B | 22019466 |
| Calpain-1 catalytic subunit | IC50 | = | 40.0 | nM | 7.4 | The ability of compound to inhibit calpain in a preparation of lysed platelets w... | 1597856 |
| Papain | Ki | = | 2400.0 | nM | 5.62 | Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain co... | 8765519 |
| Calpain-9 | IC50 | = | 35830.0 | nM | 4.45 | Inhibition of human recombinant mini-CAPN9 pre-incubated for 10 mins before calp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765519 | 10.1021/jm950445b | Papain | 5 |
| 1597856 | 10.1021/jm00089a015 | Calpain-1 catalytic subunit | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 9873627 | 10.1016/s0960-894x(98)00494-6 | Cruzipain | 1 |
| 17977725 | 10.1016/j.bmcl.2007.10.056 | Cruzipain | 1 |
| 22019466 | 10.1016/j.bmc.2011.09.058 | Cathepsin B | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 24871307 | 10.1021/np401060j | Cruzipain | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31539239 | 10.1021/acs.jmedchem.9b00294 | Procathepsin L | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine