Compound Detail
CHEMBL3397479
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COC(=O)CC1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3Cc1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL3397479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYEUVTYKUSDNCR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
5.10
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 CHEMBL5848 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of bakers yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopy... | 25759031 |
| Unchecked | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of Baker's yeast alpha-glucosidase using pNGP as substrate after 30 m... | 27487567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25759031 | 10.1016/j.bmcl.2015.02.031 | Oligo-1,6-glucosidase IMA1 | 1 |
| 27487567 | 10.1016/j.ejmech.2016.07.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine