Compound Detail
CHEMBL3133094
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Basic Information
| ChEMBL ID | CHEMBL3133094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXMMYLBSQBTPDM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
395.9
MW (Da)
3.81
ALogP
4
HBA
2
HBD
106.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human DGAT1 expressed in sf9 cell membrane assessed as... | - |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of DGAT1 (unknown origin) | 29655612 |
| Sterol O-acyltransferase 1 | IC50 | = | 10000.0 | nM | 5.0 | 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 |
| 29655612 | 10.1016/j.bmc.2018.04.004 | No relevant target | 1 |
| 29655612 | 10.1016/j.bmc.2018.04.004 | Diacylglycerol O-acyltransferase 1 | 1 |
| 29655612 | 10.1016/j.bmc.2018.04.004 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine