Molecule Details
| InChIKey | HSIBGVUMFOSJPD-CFDPKNGZSA-N |
|---|---|
| Compound Name | Ibogaine |
| Canonical SMILES | CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CC[N@@](C2)[C@@H]13 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.44 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 7.0 | Ki | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.3 | Ki | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | IC50 | ChEMBL |