Compound Detail
CHEMBL4108330
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Basic Information
| ChEMBL ID | CHEMBL4108330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDRAMRAAPSBWGS-LJQANCHMSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
2.98
ALogP
7
HBA
1
HBD
89.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
EC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | IC50 | 6.1 | 5.78 | 800.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.44 | 5.26 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 | IC50 | = | 800.0 | nM | 6.1 | Cell Free Assay: In order to eliminate the permeability barrier inherent to the ... | - |
| Proprotein convertase subtilisin/kexin type 9 | IC50 | = | 2300.0 | nM | 5.64 | AlphaLISA Assay: An in-vitro AlphaLISA assay (Perkin Elmer) was developed in ord... | - |
| Proprotein convertase subtilisin/kexin type 9 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of PCSK9 translation in human THP-1 cells by AlphaLISA assay | 35059124 |
| Unchecked | EC50 | = | 3600.0 | nM | 5.44 | Modulation of CD33 pre-mRNA splicing in human K562 cells assessed as induction o... | 35059124 |
| Unchecked | EC50 | = | 8300.0 | nM | 5.08 | Increase in CD33 level in human THP-1 cell surface incubated for 48 to 72 hrs by... | 35059124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35059124 | 10.1021/acsmedchemlett.1c00396 | Unchecked | 6 |
| 35059124 | 10.1021/acsmedchemlett.1c00396 | THP-1 | 1 |
| 35059124 | 10.1021/acsmedchemlett.1c00396 | Proprotein convertase subtilisin/kexin type 9 | 1 |
Data from ChEMBL 36 via Core Engine