Compound Detail
CHEMBL3916973
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CCCCCc1ccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C(=O)Nc3ccc(F)cc3)C(=O)N2)cc1
Basic Information
| ChEMBL ID | CHEMBL3916973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHRFUURYUVWMJY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
7.24
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 7.89 | 7.545 | 13.0 | 2 |
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 | = | 13.0 | nM | 7.89 | MGAT LCMS Assay: The MGAT enzyme reactions were performed in CORNING Falcon 96-w... | - |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | IC50 | = | 63.0 | nM | 7.2 | MGAT SPA Assay: MGAT2 enzyme was assayed using membranes isolated from Sf9 cells... | - |
Data from ChEMBL 36 via Core Engine