Compound Detail
CHEMBL4780905
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Basic Information
| ChEMBL ID | CHEMBL4780905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLKHIHJMEWHCQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.56
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 41.7 | mL.min-1.g-1 | Mus musculus |
| CL | 23.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 | EC50 | = | 0.15 | nM | 9.82 | Modulation of PCSK9 in human HepG2 cells assessed as reduction in PCSK9 expressi... | 32823006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32823006 | 10.1016/j.ejmech.2020.112678 | Proprotein convertase subtilisin/kexin type 9 | 3 |
| 32823006 | 10.1016/j.ejmech.2020.112678 | ADMET | 2 |
| 32823006 | 10.1016/j.ejmech.2020.112678 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine