Molecule Details
| InChIKey | DNUPXJMZZOYCMU-QTDLTJDHSA-N |
|---|---|
| Compound Name | N-[2-[[(1R)-1-(3a,8a-dimethyl-5,7-dioxo-4,4a,7a,8-tetrahydro-[1,3,2]dioxaborolo[4,5-f]isoindol-2-yl)-3-methylbutyl]amino]-2-oxoethyl]-2,5-dichlorobenzamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC2(C)CC3C(=O)NC(=O)C3CC2(C)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.08 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A5LHX3 | PSMB11 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| O14818 | PSMA7 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P20618 | PSMB1 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P25786 | PSMA1 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P25787 | PSMA2 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P25788 | PSMA3 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P25789 | PSMA4 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28066 | PSMA5 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P28070 | PSMB4 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28072 | PSMB6 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 8.1 | IC50 | ChEMBL |
| P49720 | PSMB3 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P60900 | PSMA6 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| Q8TAA3 | PSMA8 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| Q99436 | PSMB7 | Homo sapiens | Human | PF12465 PF00227 | 8.1 | IC50 | ChEMBL |