Molecule Details
InChIKeyLENHFBMFSSMDGV-JHOUSYSJSA-N
Compound Name3-N-[(2S,3R)-3-hydroxy-4-[2-(3-methoxyphenyl)propan-2-ylamino]-1-phenylbutan-2-yl]-1-N-(2-methoxyethyl)-5-piperidin-1-ylbenzene-1,3-dicarboxamide
Canonical SMILESCOCCNC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)cc(N2CCCCC2)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.91
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.1 IC50 ChEMBL;BindingDB
Q17SB2 Plasmodium falciparum Pathogen PF00026 7.3 IC50 ChEMBL
Q8IM16 PMIV Plasmodium falciparum (isolate 3D7) Pathogen PF00026 7.3 IC50 BindingDB