Compound Detail
CHEMBL5278292
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5278292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKTRCZWTWYYSCY-YMQACAQUSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1648.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.21
EC50 1 meas. best 6.77
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PCSK9/LDLR CHEMBL4523996 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | Kd | 8.21 | 8.21 | 6.1 | 1 |
| Proprotein convertase subtilisin/kexin type 9 CHEMBL5291514 | Kd | 7.68 | 7.68 | 21.0 | 1 |
| PCSK9/LDLR CHEMBL4523996 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PCSK9/LDLR | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PCSK9-LDLR (unknown origin) protein-protein interaction | 36446632 |
| Proprotein convertase subtilisin/kexin type 9 | Kd | = | 6.1 | nM | 8.21 | Binding affinity to human PCSK9 | 36446632 |
| Proprotein convertase subtilisin/kexin type 9 | Kd | = | 21.0 | nM | 7.68 | Binding affinity to mouse PCSK9 | 36446632 |
| PCSK9/LDLR | EC50 | = | 170.0 | nM | 6.77 | Inhibition of PCSK9-LDLR protein-protein interaction in human HepG2 cells assess... | 36446632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36446632 | 10.1021/acs.jmedchem.2c01290 | PCSK9/LDLR | 4 |
| 36446632 | 10.1021/acs.jmedchem.2c01290 | Proprotein convertase subtilisin/kexin type 9 | 2 |
| 36446632 | 10.1021/acs.jmedchem.2c01290 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine