Molecule Details
InChIKeyDUOQAKJIOOYMKW-ZKTCVHQMSA-N
Compound Name3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-carbamoyl}-2-(1-carbamimidoyl-piperidin-4-yl)-ethylsulfamoyl]-methyl}-benzoic acid; TFA
Canonical SMILESN=C(N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(C(=O)O)c2)C(=O)NCC(=O)N[C@H]2CCCN(C(=N)N)C2O)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.13
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00742 F10 Homo sapiens Human PF00008 PF14670 PF00594 PF00089 8.1 IC50 ChEMBL;BindingDB
P07477 PRSS1 Homo sapiens Human PF00089 6.7 IC50 ChEMBL;BindingDB
P00747 PLG Homo sapiens Human PF00051 PF00024 PF00089 6.6 IC50 ChEMBL;BindingDB