Compound Detail
CHEMBL1766884
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Basic Information
| ChEMBL ID | CHEMBL1766884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBFLJRBLAAEWJK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
4.46
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.6
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1... | 21413799 |
| Diacylglycerol O-acyltransferase 1 | EC50 | = | 25000.0 | nM | 4.6 | Inhibition of human DGAT1 expressed in CHO-K1 cells after 1 hr using palmitoyl-1... | 21413799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413799 | 10.1021/jm101580m | Diacylglycerol O-acyltransferase 1 | 2 |
| 21413799 | 10.1021/jm101580m | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21413799 | 10.1021/jm101580m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine