Molecule Details
| InChIKey | IUTIFFCHHGVIJE-DQROVBKRSA-N |
|---|---|
| Compound Name | (1R,18R,19S,20R,24S)-22,22-dimethyl-19-(3-methylbutoxy)-15-(2-naphthalen-2-ylethyl)-8,21,23,25-tetraoxa-3,4,5,15-tetrazatetracyclo[16.6.1.13,6.020,24]hexacosa-4,6(26)-diene |
| Canonical SMILES | CC(C)CCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@H]2Cn3cc(nn3)COCCCCCCN(CCc3ccc4ccccc4c3)CC[C@H]1O2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.3 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |