Molecule Details
| InChIKey | NLPRAJRHRHZCQQ-IVZWLZJFSA-N |
|---|---|
| Compound Name | Epibatidine |
| Canonical SMILES | Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.11 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07720 |
|---|---|
| Drug Name | Epibatidine |
| CAS Number | 140111-52-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Analgesics Analgesics, Non-Narcotic Central Nervous System Agents Cholinergic Agents Cholinergic Agonists Neurotransmitter Agents Nicotinic Agonists Peripheral Nervous System Agents Sensory System Agents
Cross-references: BindingDB: 50143314 ChEBI: 4803 CHEMBL298826 ChemSpider: 10399316 PDB: EPJ PubChem:854023 PubChem:99444191 Wikipedia: Epibatidine ZINC: ZINC000000402872
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 10.5 | Kd | ChEMBL;BindingDB |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 10.3 | Ki | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Kd | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL;BindingDB |
| Q15822 | CHRNA2 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | BindingDB |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | Ki | ChEMBL;BindingDB |
| P02708 | CHRNA1 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | IC50 | BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P30926 | CHRNB4 | Neuronal acetylcholine receptor subunit beta-4 | agonist | targets |
| P32297 | CHRNA3 | Neuronal acetylcholine receptor subunit alpha-3 | agonist | targets |
| P43681 | CHRNA4 | Neuronal acetylcholine receptor subunit alpha-4 | agonist | targets |
| Q15822 | CHRNA2 | Neuronal acetylcholine receptor subunit alpha-2 | agonist | targets |
| P17787 | CHRNB2 | Neuronal acetylcholine receptor subunit beta-2 | binder | targets |
| P36544 | CHRNA7 | Neuronal acetylcholine receptor subunit alpha-7 | binder | targets |
| Q494W8 | Q494W8 | CHRNA7-FAM7A fusion protein | binder | targets |