Compound Detail
CHEMBL3132863
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N#Cc1ccc(Nc2nnc(C(=O)Nc3ccc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc3)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL3132863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHRORTAKYLJYMU-RHNCMZPLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
3.96
ALogP
8
HBA
3
HBD
150.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of human DGAT1 | - |
| Sterol O-acyltransferase 1 | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of human ACAT1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20187A | No relevant target | 1 |
| - | 10.1039/C2MD20187A | Sterol O-acyltransferase 1 | 1 |
| - | 10.1039/C2MD20187A | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine