Compound Detail
CHEMBL1765390
(E)-BUTYLIDENEPHTHALIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1765390 |
| Name | (E)-BUTYLIDENEPHTHALIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMBOCUXXNSOQHM-DHZHZOJOSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
3.00
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.15
Ki 3 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 CHEMBL5848 | Ki | 5.31 | 5.31 | 4860.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.31 | 5.31 | 4860.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.15 | 7150.0 | 1 |
| Alpha-mannosidase CHEMBL3392945 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 | Ki | = | 4860.0 | nM | 5.31 | Mixed type inhibition of baker's yeast alpha-glucosidase by Dixon plot analysis | 23398496 |
| Unchecked | Ki | = | 4860.0 | nM | 5.31 | Non-competitive inhibition of rat intestinal alpha-glucosidase | 31927314 |
| Unchecked | IC50 | = | 7150.0 | nM | 5.15 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
| Alpha-mannosidase | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for ... | 31927314 |
| Tissue alpha-L-fucosidase | IC50 | = | 82000.0 | nM | 4.09 | Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated f... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20879744 | 10.1021/np100447a | Mus musculus | 29 |
| 16508176 | 10.1248/bpb.29.592 | Dermatophagoides farinae | 7 |
| 16508176 | 10.1248/bpb.29.592 | Tyrophagus putrescentiae | 6 |
| 16508176 | 10.1248/bpb.29.592 | Drosophila melanogaster | 4 |
| 20879744 | 10.1021/np100447a | Alpha-glucosidase MAL62 | 3 |
| 23398496 | 10.1021/np300869g | Oligo-1,6-glucosidase IMA1 | 3 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 2 |
| 16508176 | 10.1248/bpb.29.592 | Ctenocephalides felis | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine