Compound Detail
CHEMBL1929019
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CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]cn1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1929019 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SENRSUXIIOUWCL-KELSAIANSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
-0.77
ALogP
8
HBA
7
HBD
211.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO... | 22014094 |
| Replicase polyprotein 1a | IC50 | = | 65.0 | nM | 7.19 | Inhibition of SARS coronavirus Chymotrypsin-like protease | 23747811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22014094 | 10.1021/jm200870n | Chymotrypsin-like protease CTRL-1 | 1 |
| 23747811 | 10.1016/j.ejmech.2013.05.005 | Replicase polyprotein 1a | 1 |
Data from ChEMBL 36 via Core Engine