N-[(2S)-1-[[(2S)-1-[[(3-chloro-2-fluorophenyl)methyl-cyanoamino]-methylamino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]thiophene-2-carboxamide

InChIKey	`APTHLSASJXHTAY-WIOPSUGQSA-N`
Compound Name	N-[(2S)-1-[[(2S)-1-[[(3-chloro-2-fluorophenyl)methyl-cyanoamino]-methylamino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]thiophene-2-carboxamide
Canonical SMILES	`CN(C(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.45
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P25774	CTSS	Homo sapiens	Human	PF08246 PF00112	7.7	Ki	ChEMBL
P07858	CTSB	Homo sapiens	Human	PF00112 PF08127	7.0	Ki	ChEMBL
P07711	CTSL	Homo sapiens	Human	PF08246 PF00112	6.8	Ki	ChEMBL
P0DTD1	rep	Severe acute respiratory syndrome coronavirus 2	Pathogen	PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680	8.4	IC50	ChEMBL