Compound Detail
CHEMBL3581730
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O=C1NCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)OCc1ccccc1)CC2
Basic Information
| ChEMBL ID | CHEMBL3581730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSRVFALQIOWRSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
3.99
ALogP
5
HBA
2
HBD
108.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | IC50 | = | 3.4 | nM | 8.47 | In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells... | 25897973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25897973 | 10.1021/acs.jmedchem.5b00178 | No relevant target | 1 |
| 25897973 | 10.1021/acs.jmedchem.5b00178 | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | 1 |
Data from ChEMBL 36 via Core Engine