Compound Detail
CHEMBL597996
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Basic Information
| ChEMBL ID | CHEMBL597996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSKICKWULFPVRO-QBPKDAKJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
1.75
ALogP
8
HBA
0
HBD
76.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase MAL12 CHEMBL2932 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase MAL12 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophe... | 20170190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20170190 | 10.1021/jm901265h | Alpha-glucosidase MAL12 | 3 |
| 20170190 | 10.1021/jm901265h | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine