Compound Detail
CHEMBL5280822
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Basic Information
| ChEMBL ID | CHEMBL5280822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRPAHYOOCDIHTR-OVHBTUCOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
-2.24
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.22 | 4.22 | 59979.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of Aspergillus niger amyloglucosidase | 36332547 |
| Unchecked | IC50 | = | 59979.11 | nM | 4.22 | Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a... | 36332547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332547 | 10.1016/j.ejmech.2022.114852 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine