Compound Detail
CHEMBL3222249
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Basic Information
| ChEMBL ID | CHEMBL3222249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJIFTNREQSNBEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.8
MW (Da)
4.36
ALogP
5
HBA
1
HBD
81.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 150.0 | % | Rattus norvegicus |
| Fu | 0.022 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20231J | No relevant target | 2 |
| - | 10.1039/C2MD20231J | Rattus norvegicus | 2 |
| - | 10.1039/C2MD20231J | Diacylglycerol O-acyltransferase 1 | 1 |
| - | 10.1039/C2MD20231J | Plasma | 1 |
| - | 10.1039/C2MD20231J | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine