Molecule Details
| InChIKey | QDBUCXMBHJMGCN-JARDSOJUSA-N |
|---|---|
| Compound Name | Endiandrin B |
| Canonical SMILES | COc1cc([C@@H]2[C@@H](C)[C@@H](C)[C@@H]2c2ccc(O)c(OC)c2)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5AJ71 | NCE103 | Candida albicans (strain SC5314 / ATCC MYA-2876) | Pathogen | PF00484 | 6.2 | Ki | ChEMBL;BindingDB |
| P9WPJ7 | mtcA1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
| P96878 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 PF00916 | 6.0 | Ki | ChEMBL;BindingDB | |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 6.0 | Ki | ChEMBL;BindingDB |