Compound Detail
CHEMBL3133085
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Basic Information
| ChEMBL ID | CHEMBL3133085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDWWBFJULIZXMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.16
ALogP
5
HBA
2
HBD
115.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.5 | 4.5 | 31622.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of recombinant human DGAT1 expressed in sf9 cell membrane assessed as... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 31622.78 | nM | 4.5 | Inhibition of human ACAT1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20190A | No relevant target | 2 |
| - | 10.1039/C2MD20190A | Unchecked | 1 |
| - | 10.1039/C2MD20190A | Sterol O-acyltransferase 1 | 1 |
| - | 10.1039/C2MD20190A | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine