Compound Detail
CHEMBL4750381
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COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H]1CCCO1
Basic Information
| ChEMBL ID | CHEMBL4750381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSUYTSXGIVXGQN-QBYUYEEZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
0.31
ALogP
6
HBA
3
HBD
122.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.97 | 5.97 | 1076.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1076.0 | nM | 5.97 | Reversible inhibition of SARS coronavirus Urbani 3CL protease(9985 to 10902) usi... | 33054210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33054210 | 10.1021/acs.jmedchem.0c01063 | SARS-CoV | 1 |
| 33054210 | 10.1021/acs.jmedchem.0c01063 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine