Compound Detail
CHEMBL80580
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Basic Information
| ChEMBL ID | CHEMBL80580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSLUXBPFLHOFLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.80
ALogP
8
HBA
1
HBD
100.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 56.0 | nM | 7.25 | In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase... | 8691430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691430 | 10.1021/jm960170f | Rattus norvegicus | 4 |
| 8691430 | 10.1021/jm960170f | Sterol O-acyltransferase 1 | 2 |
| 8691430 | 10.1021/jm960170f | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine