Compound Detail
CHEMBL5743000
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Cc1ccc(C2=C(CNC(=O)CC#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)nc1
Basic Information
| ChEMBL ID | CHEMBL5743000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COXLAZRGLZVRDB-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
4.87
ALogP
5
HBA
2
HBD
104.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 7.92 | 7.92 | 12.0 | 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 | = | 12.0 | nM | 7.92 | Measurement of Human MGAT2 Inhibitory Activity: A full-length human MGAT2 gene t... | - |
Data from ChEMBL 36 via Core Engine