Compound Detail
CHEMBL1086997
LUCERASTAT 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1086997 |
| Name | LUCERASTAT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | UQRORFVVSGFNRO-XFWSIPNHSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
12
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
219.3
MW (Da)
-1.45
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Ceramide glucosyltransferase inhibitor | INHIBITOR | Ceramide glucosyltransferase | ✓ | ✓ |
Indications
Fabry Disease
Activity Summary
IC50 11 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucosidase CHEMBL3761 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL2748 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Ceramide glucosyltransferase CHEMBL2063 | IC50 | 5.0 | 5.0 | 10000.0 | 2 |
| Maltase-glucoamylase CHEMBL2074 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Glycogen debranching enzyme CHEMBL5272 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucosidase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of GBA2 by HPLC | 20000679 |
| Beta-glucosidase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of GBA2 (unknown origin) | 25250725 |
| Sucrase-isomaltase, intestinal | IC50 | = | 460.0 | nM | 6.34 | Inhibition of sucrase by HPLC | 20000679 |
| Lysosomal alpha-glucosidase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of lysosomal alpha-glucosidase by HPLC | 20000679 |
| Ceramide glucosyltransferase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of GCS by cell-based assay | 20000679 |
| Maltase-glucoamylase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of maltase by HPLC | 20000679 |
| Glycogen debranching enzyme | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of glycogen glycogen de-branching enzyme by HPLC | 20000679 |
| Ceramide glucosyltransferase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism ... | 25250725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23363020 | 10.1021/jm301557k | Beta-galactosidase | 6 |
| 20000679 | 10.1021/jm901281m | Ceramide glucosyltransferase | 1 |
| 20000679 | 10.1021/jm901281m | Sucrase-isomaltase, intestinal | 1 |
| 20000679 | 10.1021/jm901281m | Maltase-glucoamylase | 1 |
| 20000679 | 10.1021/jm901281m | Lactase/phlorizin hydrolase | 1 |
| 20000679 | 10.1021/jm901281m | Unchecked | 1 |
| 20000679 | 10.1021/jm901281m | Beta-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Lysosomal alpha-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Glycogen debranching enzyme | 1 |
| 25250725 | 10.1021/jm501181z | Ceramide glucosyltransferase | 1 |
| 25250725 | 10.1021/jm501181z | Lysosomal acid glucosylceramidase | 1 |
| 25250725 | 10.1021/jm501181z | Beta-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine