[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(4R,6R)-4-[2-(methylamino)-2-oxoethyl]-3-[[4-(methylcarbamoyl)phenyl]methyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

InChIKey	`NTQOVYVRCPMWAF-JNTNOFRTSA-N`
Compound Name	[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(4R,6R)-4-[2-(methylamino)-2-oxoethyl]-3-[[4-(methylcarbamoyl)phenyl]methyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Canonical SMILES	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)NC)N(Cc4ccc(C(=O)NC)cc4)C(=O)O3)[C@H]21`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	6.21
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P05107	ITGB2	Homo sapiens	Human	PF23105 PF08725 PF07965 PF00362 PF17205	6.2	IC50	ChEMBL
P05362	ICAM1	Homo sapiens	Human	PF21146 PF03921 PF13895	6.2	IC50	ChEMBL
P20701	ITGAL	Homo sapiens	Human	PF01839 PF08441 PF20805 PF00357 PF00092	6.2	IC50	ChEMBL;BindingDB