Compound Detail
CHEMBL3970658
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Basic Information
| ChEMBL ID | CHEMBL3970658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHFIHEPUGCTNFM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.79
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 6.09 | 6.0767 | 821.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 821.0 | nM | 6.09 | Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (u... | 27598312 |
| Lysosomal acid glucosylceramidase | IC50 | = | 821.0 | nM | 6.09 | High Throughput Screening (HTS) by Fluorescence Polarization (pH = 7.2): The enz... | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 891.0 | nM | 6.05 | High Throughput Screening (HTS) by Fluorescence Polarization (pH = 7.2): The enz... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27598312 | 10.1021/acs.jmedchem.6b00930 | Lysosomal acid glucosylceramidase | 1 |
Data from ChEMBL 36 via Core Engine