Compound Detail
CHEMBL3919277
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Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL3919277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQXSGSIJXJWQFI-UHFFFAOYSA-N |
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
5.97
ALogP
3
HBA
1
HBD
62.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 8.52 | 7.0738 | 3.0 | 8 |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2375203 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34613725 | 10.1021/acs.jmedchem.1c01356 | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | 2 |
| 34613725 | 10.1021/acs.jmedchem.1c01356 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine