Compound Detail
CHEMBL2029782
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Basic Information
| ChEMBL ID | CHEMBL2029782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKCIBTATGWQPGQ-JMOBQWKXSA-N |
| Parent Compound | CHEMBL2078859 |
| Active Moiety | CHEMBL2078859 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
-0.01
ALogP
6
HBA
6
HBD
113.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 12.0 | nM | 7.92 | 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 |
Data from ChEMBL 36 via Core Engine