Compound Detail
CHEMBL3288152
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O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc3c(ccn3C(=O)Nc3ccccc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3288152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSQVVCXSUZWLNZ-DNQXCXABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
6.07
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-gl... | 24900877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900877 | 10.1021/ml400527n | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine