Compound Detail
CHEMBL513992
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Basic Information
| ChEMBL ID | CHEMBL513992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCTVTHMLSAULR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.66
ALogP
6
HBA
2
HBD
110.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillo... | 19256504 |
| Sterol O-acyltransferase 1 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human ACAT1 at 10 uM by liquid scintillography | 19256504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19256504 | 10.1021/jm801507v | Diacylglycerol O-acyltransferase 1 | 2 |
| 19256504 | 10.1021/jm801507v | Diacylglycerol O-acyltransferase 2 | 1 |
| 19256504 | 10.1021/jm801507v | Sterol O-acyltransferase 1 | 1 |
| 19256504 | 10.1021/jm801507v | HuTu80 | 1 |
Data from ChEMBL 36 via Core Engine