Molecule Details
| InChIKey | XOPHHKQWDWBCDG-DCSNJQJVSA-N |
|---|---|
| Compound Name | (2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}amino)-3-(4-hydroxyphenyl)propanamido]-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methylbutanamide |
| Canonical SMILES | CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.0 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 8.2 | IC50 | ChEMBL |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 8.0 | IC50 | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.9 | IC50 | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 7.9 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 7.9 | IC50 | ChEMBL |