Molecule Details
InChIKeyJAXFJECJQZDFJS-XHEPKHHKSA-N
Compound NamePmid12372533C20
Canonical SMILESCC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(F)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1)C(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.21
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q99895 CTRC Homo sapiens Human PF00089 7.3 IC50 ChEMBL;BindingDB
P08246 ELANE Homo sapiens Human PF00089 6.1 IC50 ChEMBL;BindingDB
A3EZI9 NS3 Hepacivirus hominis Pathogen PF07652 PF22027 PF02907 8.2 Ki BindingDB