Compound Detail
CHEMBL516093
BEAUVERIOLIDE I Enter ChEMBL ID:
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CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL516093 |
| Name | BEAUVERIOLIDE I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKSLFHXTWGEITF-JIORRVSTSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
2.89
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 6.22 | 6.165 | 600.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL3879850 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Macrophage CHEMBL612578 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL3879854 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage | IC50 | = | 600.0 | nM | 6.22 | Inhibition of cholesterol ester synthesis in mouse macrophages assessed as lipid... | 18620856 |
| Sterol O-acyltransferase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of African green monkey ACAT1 expressed in CHO cells assessed as redu... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition Assay: Methods for assessing the selectively of ACAT1 inhibitors are ... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages | 22079027 |
| Sterol O-acyltransferase 2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of African green monkey ACAT2 expressed in CHO cells assessed as redu... | - |
| Sterol O-acyltransferase 2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition Assay: Methods for assessing the selectively of ACAT1 inhibitors are ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18620856 | 10.1016/j.bmcl.2008.06.054 | Macrophage | 1 |
| 18620856 | 10.1016/j.bmcl.2008.06.054 | Sterol O-acyltransferase 1 | 1 |
| 22079027 | 10.1016/j.bmcl.2011.10.045 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine