Compound Detail
CHEMBL3222262
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Basic Information
| ChEMBL ID | CHEMBL3222262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWIZMLXNSSZFNG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
18
PK Parameters
12
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.90
ALogP
5
HBA
1
HBD
81.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 8.15 | 8.025 | 7.1 | 2 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.1 | mL.min-1.kg-1 | Mus musculus |
| CL | 7.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.8 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 7.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 10200.0 | nM | Mus musculus |
| Cmax | 3100.0 | nM | Rattus norvegicus |
| Cmax | 400.0 | nM | Canis lupus familiaris |
| F | 100.0 | % | Mus musculus |
| F | 93.0 | % | Rattus norvegicus |
| F | 76.0 | % | Canis lupus familiaris |
| F | 93.0 | % | Rattus norvegicus |
| Fu | 0.08 | - | Homo sapiens |
| T1/2 | 3.5 | hr | Mus musculus |
| T1/2 | 6.7 | hr | Rattus norvegicus |
| T1/2 | 1.2 | hr | Canis lupus familiaris |
| T1/2 | 3.1 | hr | Mus musculus |
| T1/2 | 3.3 | hr | Rattus norvegicus |
| T1/2 | 1.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 7.1 | nM | 8.15 | In vivo inhibition of DGAT1 in adipose tissue of rat using [3H]-palmitic acid as... | - |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 7.7 | nM | 8.11 | Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect s... | - |
| Rattus norvegicus | IC50 | = | 12.7 | nM | 7.9 | In vivo inhibition of DGAT1 in rat assessed as reduction of plasma triacylglycer... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20231J | Rattus norvegicus | 10 |
| - | 10.1039/C2MD20231J | Mus musculus | 6 |
| - | 10.1039/C2MD20231J | Canis familiaris | 6 |
| - | 10.1039/C2MD20231J | Diacylglycerol O-acyltransferase 1 | 1 |
| - | 10.1039/C2MD20231J | Hepatocyte | 1 |
| - | 10.1039/C2MD20231J | Acetyl-CoA acetyltransferase, mitochondrial | 1 |
| - | 10.1039/C2MD20231J | Diacylglycerol O-acyltransferase 2 | 1 |
| - | 10.1039/C2MD20231J | ADMET | 1 |
| - | 10.1039/C2MD20231J | Salmonella typhimurium | 1 |
| - | 10.1039/C2MD20231J | Caco-2 | 1 |
| - | 10.1039/C2MD20231J | No relevant target | 1 |
| - | 10.1039/C2MD20231J | Plasma | 1 |
Data from ChEMBL 36 via Core Engine