Compound Detail
CHEMBL2029772
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Basic Information
| ChEMBL ID | CHEMBL2029772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBCOOGZJVXLWAB-RBJGKPSLSA-N |
| Parent Compound | CHEMBL2078657 |
| Active Moiety | CHEMBL2078657 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
0.74
ALogP
5
HBA
4
HBD
72.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 1.8 | nM | 8.74 | Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbel... | 22360565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22360565 | 10.1021/jm201633y | Lysosomal acid glucosylceramidase | 4 |
| 22360565 | 10.1021/jm201633y | Unchecked | 3 |
| 22360565 | 10.1021/jm201633y | Beta-galactosidase | 1 |
| 22360565 | 10.1021/jm201633y | Lysosomal alpha-glucosidase | 1 |
| 22360565 | 10.1021/jm201633y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine