2-[(1R,5S,11S,15S)-16-[[4-[[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]methyl]phenyl]methyl]-11-(3-carbamimidamidopropyl)-4,7,10,13,17,19-hexaoxo-3,6,9,12,16,18-hexazabicyclo[13.2.2]nonadecan-5-yl]acetic acid

InChIKey	`POHCCPZJODTAKF-PIXKVWJYSA-N`
Compound Name	2-[(1R,5S,11S,15S)-16-[[4-[[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]methyl]phenyl]methyl]-11-(3-carbamimidamidopropyl)-4,7,10,13,17,19-hexaoxo-3,6,9,12,16,18-hexazabicyclo[13.2.2]nonadecan-5-yl]acetic acid
Canonical SMILES	`CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCc4ccc(CN5C(=O)[C@H]6CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H]5C(=O)N6)cc4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	8.09
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P05106	ITGB3	Homo sapiens	Human	PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205	9.1	IC50	ChEMBL;BindingDB
P06756	ITGAV	Homo sapiens	Human	PF01839 PF08441 PF20805 PF20806 PF00357	8.1	IC50	ChEMBL
P18084	ITGB5	Homo sapiens	Human	PF23105 PF18372 PF08725 PF07965 PF00362 PF17205	7.1	IC50	ChEMBL;BindingDB