Molecule Details
| InChIKey | VXDAVYUFYPFGDX-SNPRPXQTSA-N |
|---|---|
| Compound Name | Rwj-56423 |
| Canonical SMILES | CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.67 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02812 |
|---|---|
| Drug Name | RWJ-56423 |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50228764 CHEMBL256892 ChemSpider: 4449928 PDB: ABB PubChem:5287596 PubChem:46509114 ZINC: ZINC000003916454
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 8.1 | Ki | ChEMBL;BindingDB |
| Q9BZJ3 | TPSD1 | Homo sapiens | Human | PF00089 | 8.0 | Ki | ChEMBL |
| Q9NRR2 | TPSG1 | Homo sapiens | Human | PF00089 | 8.0 | Ki | ChEMBL |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 7.8 | Ki | ChEMBL |
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 6.4 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07477 | PRSS1 | Serine protease 1 | inhibitor | targets |