Compound Detail
CHEMBL2334073
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Cc1c(C(=O)Nc2ccc(N3CCC(COc4cccc(C(=O)O)c4)CC3)cc2)oc2ccc(-c3ccccc3)cc12
Basic Information
| ChEMBL ID | CHEMBL2334073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQHDCLXLDVBPKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
560.6
MW (Da)
7.65
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 6.11 | 6.11 | 774.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 774.0 | nM | 6.11 | 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 | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine