Compound Detail
CHEMBL2441597
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Cc1ccc(C2=C(C(=O)Nc3ccno3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL2441597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFDGBYCTZXREGP-VWLOTQADSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.5
MW (Da)
6.07
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 CHEMBL2439944 | IC50 | 8.7 | 8.4 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human MGAT2 by LC/MS assay | 24900580 |
| 2-acylglycerol O-acyltransferase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human MGAT2 by SPA assay | 24900580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900580 | 10.1021/ml400272q | 2-acylglycerol O-acyltransferase 2 | 2 |
Data from ChEMBL 36 via Core Engine