Compound Detail
CHEMBL3233889
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Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)cc2n1
Basic Information
| ChEMBL ID | CHEMBL3233889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZOSPSBBFMAAAE-QVYRIUEQSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
8.10
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL1075284 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5487.3 | 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 | = | 1.4 | nM | 8.85 | Inhibition of mouse DGAT1 | 24618302 |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human DGAT1 | 24618302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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