Compound Detail
CHEMBL311725
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Basic Information
| ChEMBL ID | CHEMBL311725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMUCRXXBCAKCO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
489.7
MW (Da)
6.46
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.0 | 7.0 | 99.0 | 3 |
| Mus musculus CHEMBL375 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 99.0 | nM | 7.0 | In vitro inhibitory activity towards ACAT by the displacement of [1-14C]oleolyl-... | 9871633 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 99.0 | nM | 7.0 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from r... | 9784116 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 99.0 | nM | 7.0 | In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase... | 9632372 |
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | In vitro inhibitory activity against acetylated LDL-induced accumulation of chol... | 9784116 |
| Mus musculus | IC50 | = | 350.0 | nM | 6.46 | Compound tested for inhibitory activity of foam cell formation in mouse peritone... | 9632372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871633 | 10.1016/s0960-894x(97)10191-3 | Rattus norvegicus | 2 |
| 9784116 | 10.1021/jm980399q | Rattus norvegicus | 2 |
| 9871633 | 10.1016/s0960-894x(97)10191-3 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9784116 | 10.1021/jm980399q | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9784116 | 10.1021/jm980399q | Unchecked | 1 |
| 9784116 | 10.1021/jm980399q | No relevant target | 1 |
| 9784116 | 10.1021/jm980399q | ADMET | 1 |
| 9632372 | 10.1021/jm9800853 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9632372 | 10.1021/jm9800853 | Mus musculus | 1 |
| 9632372 | 10.1021/jm9800853 | Sterol O-acyltransferase, Soat | 1 |
| 9632372 | 10.1021/jm9800853 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine