Compound Detail
CHEMBL1766806
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Basic Information
| ChEMBL ID | CHEMBL1766806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCXDLPPBDGCXNX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
5.56
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.43
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | EC50 | 6.43 | 6.43 | 371.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 21.12 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1... | 21413799 |
| Diacylglycerol O-acyltransferase 1 | EC50 | = | 371.0 | nM | 6.43 | 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 | 4 |
| 21413799 | 10.1021/jm101580m | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21413799 | 10.1021/jm101580m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine