Compound Detail
CHEMBL1076754
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Basic Information
| ChEMBL ID | CHEMBL1076754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQRORFVVSGFNRO-AXTSPUMRSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
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 |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucosidase CHEMBL3761 | IC50 | 6.6 | 6.4 | 250.0 | 3 |
| Ceramide glucosyltransferase CHEMBL2063 | IC50 | 5.0 | 4.96 | 10000.0 | 2 |
| Ceramide glucosyltransferase CHEMBL6013 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucosidase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of GBA2 by HPLC | 20000679 |
| Beta-glucosidase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of GBA2 (unknown origin) | 25250725 |
| Beta-glucosidase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant GBA2 preincubated with compound for 30 mins using 4-me... | 24900289 |
| Ceramide glucosyltransferase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism ... | 25250725 |
| Ceramide glucosyltransferase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of GCS by cell-based assay | 20000679 |
| Ceramide glucosyltransferase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of glucosylceramide synthase in mouse RAW cells preincubated with com... | 24900289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900289 | 10.1021/ml100192b | Lysosomal alpha-glucosidase | 1 |
| 25250725 | 10.1021/jm501181z | Beta-glucosidase | 1 |
| 25250725 | 10.1021/jm501181z | Lysosomal acid glucosylceramidase | 1 |
| 25250725 | 10.1021/jm501181z | Ceramide glucosyltransferase | 1 |
| 24900289 | 10.1021/ml100192b | Ceramide glucosyltransferase | 1 |
| 24900289 | 10.1021/ml100192b | Lysosomal acid glucosylceramidase | 1 |
| 24900289 | 10.1021/ml100192b | Beta-glucosidase | 1 |
| 24900289 | 10.1021/ml100192b | Sucrase-isomaltase | 1 |
| 24900289 | 10.1021/ml100192b | Beta-galactosidase | 1 |
| 20000679 | 10.1021/jm901281m | Ceramide glucosyltransferase | 1 |
| 24900289 | 10.1021/ml100192b | Unchecked | 1 |
| 20000679 | 10.1021/jm901281m | Glycogen debranching enzyme | 1 |
| 20000679 | 10.1021/jm901281m | Lysosomal alpha-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Beta-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Unchecked | 1 |
| 20000679 | 10.1021/jm901281m | Lactase/phlorizin hydrolase | 1 |
| 20000679 | 10.1021/jm901281m | Maltase-glucoamylase | 1 |
| 20000679 | 10.1021/jm901281m | Sucrase-isomaltase, intestinal | 1 |
Data from ChEMBL 36 via Core Engine