Compound Detail
CHEMBL3655015
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CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(C(C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3655015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMUJBIFSDKTHGS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
580.8
MW (Da)
7.87
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 CHEMBL2439944 | IC50 | 7.58 | 7.495 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 | IC50 | = | 26.0 | nM | 7.58 | Inhibition Assay: A test for MGAT2 inhibitory action of test compounds was condu... | - |
| 2-acylglycerol O-acyltransferase 2 | IC50 | = | 39.0 | nM | 7.41 | Inhibition Assay: A test for MGAT2 inhibitory action of test compounds was condu... | - |
Data from ChEMBL 36 via Core Engine