N-[(2S)-1-[[(2S,3S)-1-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]-5-(butylamino)-3-hydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

InChIKey	`HYNVYNNQZORRBL-HPSLPFNASA-N`
Compound Name	N-[(2S)-1-[[(2S,3S)-1-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]-5-(butylamino)-3-hydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
Canonical SMILES	`CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(-c2ccc3c(c2)OCO3)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	7.36
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P07339	CTSD	Homo sapiens	Human	PF07966 PF00026	6.2	Ki	ChEMBL;BindingDB
P39898	PMI	Plasmodium falciparum (isolate HB3)	Pathogen	PF00026	8.6	Ki	ChEMBL;BindingDB
P46925	PMII	Plasmodium falciparum (isolate HB3)	Pathogen	PF00026	7.3	Ki	ChEMBL;BindingDB