Compound Detail
CHEMBL4067517
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O=C(Cn1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)nn1)Nc1cccc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4067517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBGHHQKZVSKVLL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
5.75
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 4.84 | 4.84 | 14450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase | IC50 | = | 14450.0 | nM | 4.84 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glu... | 27689725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689725 | 10.1016/j.ejmech.2016.09.067 | Lysosomal alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine