Molecule Details
| InChIKey | NFRKACJUZYOBMM-UPVQGACJSA-N |
|---|---|
| Compound Name | 5-Hydroxymethyl-2-isopropyl-1-undecyl-1,2,5,6-tetrahydro-benzo[e][1,4]oxazocin-3-one |
| Canonical SMILES | CCCCCCCCCCCN1c2ccccc2C[C@@H](CO)OC(=O)[C@@H]1C(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.7 | Ki | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.5 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.4 | pIC50 | TTD_MultiTarget |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.4 | Ki | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.4 | Ki | ChEMBL;BindingDB |