Compound Detail
CHEMBL3692692
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CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O[C@H]34)nn1)c1c(C)cc(C)n1[B-]2(F)F
Basic Information
| ChEMBL ID | CHEMBL3692692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZGBBUJVVVRRFK-DQTYAKANSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Ki 1 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 9.02 | 9.02 | 0.9 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 0.95 | nM | 9.02 | Enzyme Activity Assay: Activity of GBA was measured at 37° C. with 4-methylumbel... | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 2.0 | nM | 8.7 | Enzyme Activity Assay: Activity of GBA was measured at 37° C. with 4-methylumbel... | - |
Data from ChEMBL 36 via Core Engine