Compound Detail
CHEMBL2334078
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CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(COc5cccc(C(=O)O)c5)CC4)nc3)o2)C1
Basic Information
| ChEMBL ID | CHEMBL2334078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGBQERWGDVPIIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
587.6
MW (Da)
5.57
ALogP
8
HBA
2
HBD
121.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2409.16 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol ... | 23317570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23317570 | 10.1016/j.bmcl.2012.12.040 | Rattus norvegicus | 1 |
| 23317570 | 10.1016/j.bmcl.2012.12.040 | Mus musculus | 1 |
| 23317570 | 10.1016/j.bmcl.2012.12.040 | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine