Molecule Details
| InChIKey | JXDBAMPVBYMQEE-XGGVPNMNSA-N |
|---|---|
| Compound Name | (2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-2-oxoindolin-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P47901 | AVPR1B | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P30559 | OXTR | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P37288 | AVPR1A | Homo sapiens | Human | PF00001 PF08983 | 7.3 | Ki | ChEMBL;BindingDB |
| P30518 | AVPR2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |