Compound Detail
CHEMBL3233887
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CC(C)c1cccc(NC(=O)c2ccnc3cc(-c4ccc([C@H]5CC[C@H](CC(=O)O)CC5)cc4)ccc23)c1
Basic Information
| ChEMBL ID | CHEMBL3233887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKMARAMDTRCOCT-YHBQERECSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
8.03
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL1075284 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 15.2 | 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 | = | 23.0 | nM | 7.64 | Inhibition of mouse DGAT1 | 24618302 |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 58.0 | nM | 7.24 | Inhibition of human DGAT1 | 24618302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24618302 | 10.1016/j.bmcl.2014.02.028 | Plasma | 3 |
| 24618302 | 10.1016/j.bmcl.2014.02.028 | Diacylglycerol O-acyltransferase 1 | 2 |
| 24618302 | 10.1016/j.bmcl.2014.02.028 | Mus musculus | 1 |
| 24618302 | 10.1016/j.bmcl.2014.02.028 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine