Compound Detail
CHEMBL4564881
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CCc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3C(F)(F)F)[nH]c(=O)c2-c2nn[nH]n2)s1
Basic Information
| ChEMBL ID | CHEMBL4564881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPBGXZXRDAKLJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.5
MW (Da)
7.03
ALogP
6
HBA
2
HBD
96.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 9.52 | 9.52 | 0.3 | 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 | = | 0.3 | nM | 9.52 | Inhibition of recombinant human MGAT2 | 29986142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29986142 | 10.1021/acs.jmedchem.8b00864 | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | 1 |
Data from ChEMBL 36 via Core Engine