Compound Detail
CHEMBL5284169
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CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5284169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXBKZEBXZFDTMV-NFJLVMAISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2776.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Angiotensin-converting enzyme 2 CHEMBL3736 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Antiviral activity against pseudovirus SARS-CoV spike protein infected in HeLa c... | 32539378 |
| Angiotensin-converting enzyme 2 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human wild type full length ACE2 peptide assessed as inhibition | 32539378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Angiotensin-converting enzyme 2 | 1 |
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine