Compound Detail
CHEMBL5780497
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COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3C[C@H](F)CN3C(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCCCNC(=O)COc3ccc(cc3)C[C@@H](C(N)=O)NC(=O)[C@]3(C)CCCN3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5780497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPLOQDKAJJIQHJ-FJGBCSDTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1431.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PCSK9/LDLR CHEMBL4523996 | IC50 | 7.3 | 6.43 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PCSK9/LDLR | IC50 | = | 50.0 | nM | 7.3 | Alexa Fret: The PCSK9 Alexa FRET Standard assay measured the interaction between... | - |
| PCSK9/LDLR | IC50 | = | 2750.0 | nM | 5.56 | Alexa Plus Fret: The PCSK9 Alexa FRET Plus assay measured the interaction betwee... | - |
Data from ChEMBL 36 via Core Engine