Compound Detail
CHEMBL504313
ENDO-EPIBOXIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL504313 |
| Name | ENDO-EPIBOXIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEEFPQBPVBFCSD-IWSPIJDZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.59
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane | 18644719 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 230.0 | nM | 6.64 | Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membr... | 18644719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine