Compound Detail
CHEMBL5589663
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5589663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKFWZENRPDGHAA-RTBQAPNASA-N |
| Parent Compound | CHEMBL6068957 |
| Active Moiety | CHEMBL6068957 |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
359.6
MW (Da)
2.49
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucosylceramidase CHEMBL1275219 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 6.215 | 4.0 | 4 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| MKN-45 CHEMBL614354 | EC50 | 4.3 | 4.3 | 50500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucosylceramidase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of bovine liver beta-glucosidase using p-nitrophenyl glycoside as sub... | 38878517 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycoside as s... | 38878517 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of almond beta-glucosidase using p-nitrophenyl glycoside as substrate... | 38878517 |
| Lysosomal acid glucosylceramidase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human lysosome beta-glucosidase using p-nitrophenyl glycoside as s... | 38878517 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of snail beta-mannosidase using p-nitrophenyl glycoside as substrate ... | 38878517 |
| Unchecked | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a... | 38878517 |
| MKN-45 | EC50 | = | 50500.0 | nM | 4.3 | Antitumor activity against human MKN-45 cells assessed as inhibition of cell gro... | 38878517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38878517 | 10.1016/j.ejmech.2024.116570 | Unchecked | 9 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Acidic alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Glucosylceramidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Alpha-galactosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Alpha-mannosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | MKN-45 | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Lysosomal alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Lysosomal acid glucosylceramidase | 1 |
Data from ChEMBL 36 via Core Engine