[(3S)-3-[[(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3-(prop-2-enoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-1-(cyclopropylamino)-1-oxohexan-2-yl] 2,2,2-trifluoroacetate

InChIKey	`UABMAUQOFZTIIT-QQWMEIISSA-N`
Compound Name	[(3S)-3-[[(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3-(prop-2-enoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-1-(cyclopropylamino)-1-oxohexan-2-yl] 2,2,2-trifluoroacetate
Canonical SMILES	`C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC)C(OC(=O)C(F)(F)F)C(=O)NC1CC1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	6.3
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
C1KIQ2		Hepacivirus hominis	Pathogen	PF02907	6.3	IC50	ChEMBL
A3EZI9	NS3	Hepacivirus hominis	Pathogen	PF07652 PF22027 PF02907	6.3	IC50	ChEMBL
D2K2A8	NS4A	Hepacivirus hominis	Pathogen	PF01006	6.3	IC50	ChEMBL