Molecule Details
| InChIKey | CRXFCGUGNWJSEY-XLDPMVHQSA-N |
|---|---|
| Compound Name | (1S,9S,12R)-5-chloro-2-oxa-4,11-diazatetracyclo[7.5.0.01,12.03,8]tetradeca-3(8),4,6-triene |
| Canonical SMILES | Clc1ccc2c(n1)O[C@]13CC[C@H]1NC[C@H]23 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL;BindingDB |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | Ki | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | Ki | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | Ki | ChEMBL;BindingDB |