Compound Detail
CHEMBL1395412
ARECAIDINE BUT-2-YNYL ESTER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1395412 |
| Name | ARECAIDINE BUT-2-YNYL ESTER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBFWTPRSXIRKMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
0.81
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor DM1 CHEMBL2366467 | Ki | 5.82 | 5.815 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor DM1 | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation coun... | 17319687 |
| Muscarinic acetylcholine receptor DM1 | Ki | = | 1560.0 | nM | 5.81 | Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillatio... | 17319687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17319687 | 10.1021/jf0631934 | Musca domestica | 10 |
| 17319687 | 10.1021/jf0631934 | Muscarinic acetylcholine receptor DM1 | 2 |
Data from ChEMBL 36 via Core Engine