Molecule Details
| InChIKey | WKPLTJYUKCBVTC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1,4-Di{4-[4-amino(imino)methylphenylcarboxamidomethyl]hexahydro-1-pyridinylcarbonyloxymethyl}benzene |
| Canonical SMILES | N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(COC(=O)N4CCC(CNC(=O)c5ccc(C(=N)N)cc5)CC4)cc3)CC2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.16 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 9.4 | Ki | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 9.4 | Ki | ChEMBL |
| Q9BZJ3 | TPSD1 | Homo sapiens | Human | PF00089 | 9.4 | Ki | ChEMBL |
| Q9NRR2 | TPSG1 | Homo sapiens | Human | PF00089 | 9.4 | Ki | ChEMBL |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 8.2 | Ki | ChEMBL;BindingDB |