Compound Detail
CHEMBL5285300
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CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5285300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQUZMKYYSPXIME-IEYAUNPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1747.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PCSK9/LDLR CHEMBL4523996 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PCSK9/LDLR | IC50 | = | 14500.0 | nM | 4.84 | Inhibition of PCSK9-LDLR (unknown origin) protein-protein interaction | 36446632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36446632 | 10.1021/acs.jmedchem.2c01290 | PCSK9/LDLR | 2 |
| 36446632 | 10.1021/acs.jmedchem.2c01290 | Proprotein convertase subtilisin/kexin type 9 | 2 |
Data from ChEMBL 36 via Core Engine