Molecule Details
| InChIKey | HMEFKYRCNZDJCR-MCEBTLFFSA-N |
|---|---|
| Compound Name | benzyl N-[(9S,12S,15S)-15-[[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl]-12-(2-methylpropyl)-4-nitro-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaen-9-yl]carbamate |
| Canonical SMILES | CC(C)C[C@@H](C=O)NC(=O)[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2[N+](=O)[O-])C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.62 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A5LHX3 | PSMB11 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| O14818 | PSMA7 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| P20618 | PSMB1 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P25786 | PSMA1 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| P25787 | PSMA2 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| P25788 | PSMA3 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| P25789 | PSMA4 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P28066 | PSMA5 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| P28070 | PSMB4 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P28072 | PSMB6 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 6.6 | IC50 | ChEMBL |
| P49720 | PSMB3 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL |
| P60900 | PSMA6 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| Q8TAA3 | PSMA8 | Homo sapiens | Human | PF00227 PF10584 | 6.6 | IC50 | ChEMBL |
| Q99436 | PSMB7 | Homo sapiens | Human | PF12465 PF00227 | 6.6 | IC50 | ChEMBL |