[(1S,2S,4S,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(3S)-2-hydroxy-3-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-nitrobenzoate

InChIKey	`KDMJJZDQQHNZEO-BWIHGUOESA-N`
Compound Name	[(1S,2S,4S,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(3S)-2-hydroxy-3-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-nitrobenzoate
Canonical SMILES	`CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)C(O)[C@@H](NC(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)OCc4ccccc4)C(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4cccc([N+](=O)[O-])c4)C21)C3(C)C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	15
Pfam Stratification	Homologous
Avg pChEMBL	6.3
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P04350	TUBB4A	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
P07437	TUBB	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
P0DPH7	TUBA3C	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
P68363	TUBA1B	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
P68366	TUBA4A	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
P68371	TUBB4B	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q13509	TUBB3	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q13885	TUBB2A	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q3ZCM7	TUBB8	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q6PEY2	TUBA3E	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q71U36	TUBA1A	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q9BQE3	TUBA1C	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q9BUF5	TUBB6	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q9BVA1	TUBB2B	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL
Q9H4B7	TUBB1	Homo sapiens	Human	PF00091 PF03953	6.3	IC50	ChEMBL