Compound Detail
CHEMBL417493
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Basic Information
| ChEMBL ID | CHEMBL417493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDMYJRJLSGLBHW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
5.79
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.04 | 6.04 | 910.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 910.0 | nM | 6.04 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat li... | 8691472 |
| Sterol O-acyltransferase 1 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of ACAT in rat | 34213340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691472 | 10.1021/jm9505876 | Sterol O-acyltransferase 1 | 1 |
| 33479606 | 10.1039/c9md00468h | HeLa | 1 |
| 33479606 | 10.1039/c9md00468h | Plasmodium falciparum | 1 |
| 33479606 | 10.1039/c9md00468h | Hemozoin | 1 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine