Compound Detail
CHEMBL5409584
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Basic Information
| ChEMBL ID | CHEMBL5409584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNXFQQVLICCBOG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.7
MW (Da)
6.76
ALogP
5
HBA
1
HBD
47.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PCSK9/LDLR CHEMBL4523996 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PCSK9/LDLR | IC50 | = | 9.0 | nM | 8.05 | Inhibition of His-tagged PCSK9 to recombinant LDLR (unknown origin) protein-prot... | 37261954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37261954 | 10.1021/acs.jmedchem.3c00279 | Unchecked | 4 |
| 37261954 | 10.1021/acs.jmedchem.3c00279 | HepG2 | 1 |
| 37261954 | 10.1021/acs.jmedchem.3c00279 | PCSK9/LDLR | 1 |
| 37261954 | 10.1021/acs.jmedchem.3c00279 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
Data from ChEMBL 36 via Core Engine