Molecule Details
| InChIKey | USEYXZSHZLLAJS-KPURRNSFSA-N |
|---|---|
| Compound Name | 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (R)-3-(4-hydroxy-benzoylamino)-4-methyl-azepan-4-yl ester |
| Canonical SMILES | C[C@@]1(OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.5 | IC50 | ChEMBL;BindingDB |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL;BindingDB |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.0 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |