Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL409855

BEAUVERIOLIDE III
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409855
Name BEAUVERIOLIDE III
Phase Preclinical
Structure Type MOL
InChI Key VEELKRGSLCNVAR-QVZGIDAOSA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
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

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H41N3O5
MW 487.64
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 1.81

Activity Summary

IC50 9 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage
CHEMBL612578
 IC50 6.4 6.4 400.0 1
Sterol O-acyltransferase 1
CHEMBL2782
 IC50 6.39 5.9 410.0 3
Sterol O-acyltransferase 1
CHEMBL3879850
 IC50 6.05 5.8533 900.0 3
Unchecked
CHEMBL612545
 IC50 5.92 5.92 1190.0 1
Sterol O-acyltransferase 2
CHEMBL3879854
 IC50 5.51 5.51 3100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage IC50 = 400.0 nM 6.4 Inhibition of cholesterol ester synthesis in mouse macrophages assessed as lipid... 18620856
Sterol O-acyltransferase 1 IC50 = 410.0 nM 6.39 Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages 22079027
Sterol O-acyltransferase 1 IC50 = 900.0 nM 6.05 Inhibition of African green monkey ACAT1 expressed in CHO cells assessed as redu... -
Sterol O-acyltransferase 1 IC50 = 900.0 nM 6.05 Inhibition Assay: Methods for assessing the selectively of ACAT1 inhibitors are ... -
Sterol O-acyltransferase 1 IC50 = 1100.0 nM 5.96 Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decr... 29631961
Unchecked IC50 = 1190.0 nM 5.92 Inhibition of SOAT in mouse peritoneal macrophages assessed as reduction in chol... 36473091
Sterol O-acyltransferase 1 IC50 = 2800.0 nM 5.55 Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes asses... 29631961
Sterol O-acyltransferase 2 IC50 = 3100.0 nM 5.51 Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes asses... 29631961
Sterol O-acyltransferase 1 IC50 = 5500.0 nM 5.26 Inhibition of SOAT1 (unknown origin) expressed in CHO cells using [14C]oleic aci... 36473091

Literature References

PubMed DOI Target Context # Activities
29631961 10.1016/j.bmcl.2018.03.077 Sterol O-acyltransferase 1 2
29631961 10.1016/j.bmcl.2018.03.077 Sterol O-acyltransferase 2 2
29631961 10.1016/j.bmcl.2018.03.077 Unchecked 2
18620856 10.1016/j.bmcl.2008.06.054 Sterol O-acyltransferase 1 1
18620856 10.1016/j.bmcl.2008.06.054 Macrophage 1
22079027 10.1016/j.bmcl.2011.10.045 Sterol O-acyltransferase 1 1
36473091 10.1021/acs.jmedchem.2c01265 Unchecked 1
36473091 10.1021/acs.jmedchem.2c01265 Sterol O-acyltransferase 1 1
36473091 10.1021/acs.jmedchem.2c01265 Sterol O-acyltransferase 2 1

Data from ChEMBL 36 via Core Engine