Compound Detail
CHEMBL5087487
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COc1ccc(C[C@@H]2NC(=O)[C@H]([C@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C/CO4)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5087487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPIWXACHUBZCIA-FNQCIGKQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1344.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | Ki | 9.64 | 9.495 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 | Ki | = | 0.23 | nM | 9.64 | Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs... | 34704436 |
| Proprotein convertase subtilisin/kexin type 9 | Ki | = | 0.45 | nM | 9.35 | Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs... | 34704436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34704436 | 10.1021/acs.jmedchem.1c01599 | Proprotein convertase subtilisin/kexin type 9 | 2 |
| 34704436 | 10.1021/acs.jmedchem.1c01599 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine