Compound Detail
CHEMBL4641251
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CNCc1ncc(-c2ccc(Oc3cc(Cl)cc(F)c3CN3C(=O)C[C@@H](CC(F)(F)F)C(=O)N4CCC[C@@](Cc5ccc(Cl)cc5)(C4)N(C)C(=O)[C@H](COC)NC(=O)[C@@H]3C)cc2)n1C
Basic Information
| ChEMBL ID | CHEMBL4641251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZHXJDZJHHTOKD-WBUCPMPFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
932.8
MW (Da)
6.93
ALogP
9
HBA
2
HBD
138.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 | IC50 | = | 0.57 | nM | 9.24 | Inhibition of human PCSK9 by Alexa Fluor 647 staining based TR-FRET assay | 32944132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32944132 | 10.1021/acsmedchemlett.0c00388 | Proprotein convertase subtilisin/kexin type 9 | 2 |
Data from ChEMBL 36 via Core Engine