Molecule Details
| InChIKey | JTDHGVJBDFRZDP-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[1-[2-[5-(aminomethyl)-2-chloroanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide |
| Canonical SMILES | NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.1 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 7.4 | IC50 | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 7.4 | IC50 | ChEMBL |
| Q9BZJ3 | TPSD1 | Homo sapiens | Human | PF00089 | 7.4 | IC50 | ChEMBL |
| Q9NRR2 | TPSG1 | Homo sapiens | Human | PF00089 | 7.4 | IC50 | ChEMBL |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.5 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |