Molecule Details
InChIKeyHVMZYPNIRCCZDE-AJQTZOPKSA-N
Compound Name3-N-[(2S,3R)-3-hydroxy-4-[2-(3-methoxyphenyl)propan-2-ylamino]-1-phenylbutan-2-yl]-5-piperidin-1-yl-1-N-(3,3,3-trifluoropropyl)benzene-1,3-dicarboxamide
Canonical SMILESCOc1cccc(C(C)(C)NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)NCCC(F)(F)F)cc(N3CCCCC3)c2)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.16
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 6.2 IC50 ChEMBL;BindingDB
Q17SB2 Plasmodium falciparum Pathogen PF00026 7.6 IC50 ChEMBL
Q8IM16 PMIV Plasmodium falciparum (isolate 3D7) Pathogen PF00026 7.6 IC50 BindingDB