Compound Detail
CHEMBL5880418
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CS(=O)(=O)CC(=O)NCC1=C(c2ccc(C(F)F)cn2)C[C@](c2ccc(C3CC3)cc2)(C(F)(F)F)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5880418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTDSJWUJPHCORQ-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
3.79
ALogP
5
HBA
2
HBD
105.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 7.68 | 7.68 | 21.0 | 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 | = | 21.0 | nM | 7.68 | Measurement of Human MGAT2 Inhibitory Activity: A full-length human MGAT2 gene t... | - |
Data from ChEMBL 36 via Core Engine