Compound Detail
CHEMBL3397472
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COC(=O)CC1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3397472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXFMSZOKSZFGLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.33
ALogP
6
HBA
0
HBD
101.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 CHEMBL5848 | IC50 | 4.11 | 4.11 | 77100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 | IC50 | = | 77100.0 | nM | 4.11 | Inhibition of bakers yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopy... | 25759031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25759031 | 10.1016/j.bmcl.2015.02.031 | Oligo-1,6-glucosidase IMA1 | 1 |
Data from ChEMBL 36 via Core Engine