Compound Detail
CHEMBL1766887
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Basic Information
| ChEMBL ID | CHEMBL1766887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPNQNECOMVEDKT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
3.90
ALogP
7
HBA
1
HBD
100.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.67
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | EC50 | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1... | 21413799 |
| Diacylglycerol O-acyltransferase 1 | EC50 | = | 216.0 | nM | 6.67 | 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 |
Data from ChEMBL 36 via Core Engine