Compound Detail
CHEMBL3233885
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O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3233885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVUFVZWOVPVTGF-HZCBDIJESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
7.51
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL1075284 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of mouse DGAT1 | 24618302 |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 11.0 | nM | 7.96 | 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 | Caco-2 | 1 |
| 24618302 | 10.1016/j.bmcl.2014.02.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine