Molecule Details
| InChIKey | IYKCWOIZNVHUMI-GUYCJALGSA-N |
|---|---|
| Compound Name | (9S,12S)-12-(hydroxymethyl)-3,8-dimethyl-9-propan-2-yl-1,2,8,11-tetrazatetracyclo[12.2.1.04,16.07,15]heptadeca-2,4(16),5,7(15),14(17)-pentaen-10-one |
| Canonical SMILES | Cc1nn2cc3c4c(ccc1c42)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C3 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.9 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | pIC50 | TTD_MultiTarget |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.8 | Ki | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.7 | Ki | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.4 | Ki | ChEMBL;BindingDB |