Compound Detail
CHEMBL216458
ALPHA-BUNGAROTOXIN Enter ChEMBL ID:
Free Research Context
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C=C(C=O)C[C@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)C/C=C\[C@H]4O[C@H]3C[C@H]2O1
Basic Information
| ChEMBL ID | CHEMBL216458 |
| Name | ALPHA-BUNGAROTOXIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYTCVQQGCSNFJU-LKGYBJPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
895.1
MW (Da)
5.47
ALogP
14
HBA
1
HBD
155.9
PSA (Ų)
0.16
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 5.7 | nM | 8.24 | Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nACh... | 12467625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467625 | 10.1016/s0960-894x(02)00849-1 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 12467625 | 10.1016/s0960-894x(02)00849-1 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine