Compound Detail
CHEMBL2178371
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Basic Information
| ChEMBL ID | CHEMBL2178371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEDBHMQQFZHPAR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.54
ALogP
4
HBA
2
HBD
106.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 55.0 | % | Rattus norvegicus |
| Fu | 0.006 | - | Homo sapiens |
| T1/2 | 7.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillo... | 23116186 |
| Sterol O-acyltransferase 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human ACAT1 by liquid scintillography | 23116186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23116186 | 10.1021/jm301296t | Rattus norvegicus | 2 |
| 23116186 | 10.1021/jm301296t | No relevant target | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 23116186 | 10.1021/jm301296t | MDCK | 1 |
| 23116186 | 10.1021/jm301296t | Hepatocyte | 1 |
| 23116186 | 10.1021/jm301296t | Plasma | 1 |
| 23116186 | 10.1021/jm301296t | Sterol O-acyltransferase 1 | 1 |
| 23116186 | 10.1021/jm301296t | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine