Compound Detail
CHEMBL3287886
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O=C(C[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1)NO
Basic Information
| ChEMBL ID | CHEMBL3287886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMWUXYHHIFSDGX-MEMLXQNLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.95
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL1075284 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-gl... | 24900877 |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 920.0 | nM | 6.04 | Inhibition of mouse 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 | 2 |
Data from ChEMBL 36 via Core Engine