Molecule Details
| InChIKey | NQABUEUFRXDDFI-AWEZNQCLSA-N |
|---|---|
| Compound Name | Rwj-51084 |
| Canonical SMILES | N=C(N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.15 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03251 |
|---|---|
| Drug Name | RWJ-51084 |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amino Acids Amino Acids, Basic Amino Acids, Diamino Amino Acids, Peptides, and Proteins Heterocyclic Compounds, Fused-Ring Sulfur Compounds Thiazoles
Cross-references: BindingDB: 50139747 CHEMBL164138 ChemSpider: 4451311 PDB: RWJ PubChem:5289320 PubChem:46505023 ZINC: ZINC000012503351
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.5 | Ki | ChEMBL;BindingDB |
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 7.1 | Ki | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 7.1 | Ki | ChEMBL |
| Q9BZJ3 | TPSD1 | Homo sapiens | Human | PF00089 | 7.1 | Ki | ChEMBL |
| Q9NRR2 | TPSG1 | Homo sapiens | Human | PF00089 | 7.1 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07477 | PRSS1 | Serine protease 1 | binder | targets |