Compound Detail
CHEMBL3133083
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Basic Information
| ChEMBL ID | CHEMBL3133083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFDPGYFMJXPAST-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
4.83
ALogP
7
HBA
3
HBD
126.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.0 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.0001 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human DGAT1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20187A | No relevant target | 2 |
| - | 10.1039/C2MD20187A | Hepatocyte | 1 |
| - | 10.1039/C2MD20187A | Plasma | 1 |
| - | 10.1039/C2MD20187A | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine