Compound Detail
CHEMBL5885545
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C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1CCCSCc1cccc(c1)CSC[C@@H](C(N)=O)NC2=O
Basic Information
| ChEMBL ID | CHEMBL5885545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQUNQCNBDRFHIT-BUFVAJNJSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1399.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PCSK9/LDLR CHEMBL4523996 | IC50 | 7.3 | 6.14 | 50.0 | 4 |
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 | = | 300.0 | nM | 6.52 | Alexa Plus Fret: The PCSK9 Alexa FRET Plus assay measured the interaction betwee... | - |
| PCSK9/LDLR | IC50 | = | 2750.0 | nM | 5.56 | Alexa Plus Fret: The PCSK9 Alexa FRET Plus assay measured the interaction betwee... | - |
| PCSK9/LDLR | IC50 | = | 6550.0 | nM | 5.18 | Alexa Fret: The PCSK9 Alexa FRET Standard assay measured the interaction between... | - |
Data from ChEMBL 36 via Core Engine