Compound Detail
CHEMBL395524
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Basic Information
| ChEMBL ID | CHEMBL395524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQOLKMFBRBFUIO-BCDHYOAOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
-2.47
ALogP
5
HBA
4
HBD
106.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.3
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| Glucoamylase, intracellular sporulation-specific CHEMBL1075248 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5000.0 | nM | 5.3 | Inhibition of jack bean alpha-D-mannosidase | 17434740 |
| Glucoamylase, intracellular sporulation-specific | Ki | = | 25000.0 | nM | 4.6 | Inhibition of yeast alpha-D-glucosidase | 17434740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434740 | 10.1016/j.bmc.2007.03.073 | Unchecked | 2 |
| 17434740 | 10.1016/j.bmc.2007.03.073 | Glucoamylase, intracellular sporulation-specific | 1 |
Data from ChEMBL 36 via Core Engine