Compound Detail
CHEMBL4638184
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C[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCN(C2)C(=O)[C@H](CC2CC2)CC(=O)N1Cc1c(F)cc(Cl)cc1Oc1ccc(-c2cnc(CNC3CCC3)n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL4638184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLYAMSLGXROBGG-YBWFVEAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
916.9
MW (Da)
6.70
ALogP
9
HBA
4
HBD
158.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | IC50 | 9.03 | 9.03 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 | IC50 | = | 0.93 | nM | 9.03 | 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