Compound Detail
CHEMBL440392
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Basic Information
| ChEMBL ID | CHEMBL440392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDIZUJPZYMJMRS-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
4.71
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613652 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.6 | 4.6 | 24900.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.26 | 4.225 | 55500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 12600.0 | nM | 4.9 | Antioxidant activity against human plasma LDL oxidation by TBARS assay | 16919944 |
| Unchecked | IC50 | = | 24900.0 | nM | 4.6 | Inhibition of bakers yeast alpha-glucosidase by spectrophotometry | 17950599 |
| Sterol O-acyltransferase 2 | IC50 | = | 28800.0 | nM | 4.54 | Inhibition of human ACAT2 expressed in Hi5 cells | 16919944 |
| Sterol O-acyltransferase 1 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human ACAT1 expressed in Hi5 cells | 16919944 |
| Radical scavenging activity | IC50 | = | 55500.0 | nM | 4.26 | Hydroxyl radical scavenging activity of Cudriana tricuspidata extracts | 16203143 |
| Radical scavenging activity | IC50 | = | 64500.0 | nM | 4.19 | Superoxide radical scavenging activity of Cudriana tricuspidata extracts | 16203143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16203143 | 10.1016/j.bmcl.2005.08.099 | Radical scavenging activity | 3 |
| 19285413 | 10.1016/j.bmc.2009.02.042 | Sialidase | 3 |
| 16203143 | 10.1016/j.bmcl.2005.08.099 | HL-60 | 2 |
| 16203143 | 10.1016/j.bmcl.2005.08.099 | HT-29 | 1 |
| 16203143 | 10.1016/j.bmcl.2005.08.099 | SK-OV-3 | 1 |
| 16203143 | 10.1016/j.bmcl.2005.08.099 | AGS | 1 |
| 16203143 | 10.1016/j.bmcl.2005.08.099 | A549 | 1 |
| 16919944 | 10.1016/j.bmcl.2006.08.032 | Plasma | 1 |
| 16919944 | 10.1016/j.bmcl.2006.08.032 | Sterol O-acyltransferase 1 | 1 |
| 16919944 | 10.1016/j.bmcl.2006.08.032 | Sterol O-acyltransferase 2 | 1 |
| 17950599 | 10.1016/j.bmcl.2007.10.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine