N-[2-[2-[2-[2-[2-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(1R,9S,12S,14R,15R,16E,18R,19S,21R,23R,25Z,27E,29E,31S,33S,36R)-12-[(2R)-1-[(1S,3R,4R)-4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-3-methoxycyclohexyl]propan-2-yl]-1,14,18-trihydroxy-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10-trioxo-11,37-dioxa-4-azatricyclo[31.3.1.04,9]heptatriaconta-16,25,27,29-tetraen-20-yl]amino]oxyacetamide

InChIKey	`ZBPSKLNSJKJKLB-XRLYFYKLSA-N`
Compound Name	N-[2-[2-[2-[2-[2-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(1R,9S,12S,14R,15R,16E,18R,19S,21R,23R,25Z,27E,29E,31S,33S,36R)-12-[(2R)-1-[(1S,3R,4R)-4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]-3-methoxycyclohexyl]propan-2-yl]-1,14,18-trihydroxy-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10-trioxo-11,37-dioxa-4-azatricyclo[31.3.1.04,9]heptatriaconta-16,25,27,29-tetraen-20-yl]amino]oxyacetamide
Canonical SMILES	`CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCN3CCOC(C)(C)C3)[C@H](OC)C2)C[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(NOCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N2CCc3cc(Cn4nc(-c5ccc6oc(N)nc6c5)c5c(N)ncnc54)ccc3C2)[C@H](C)C[C@H](C)C/C=C\C=C\C=C\1C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	6.0
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P42345	MTOR	Homo sapiens	Human	PF02259 PF02260 PF08771 PF23593 PF11865 PF00454	6.0	IC50	ChEMBL
Q6R327	RICTOR	Homo sapiens	Human	PF14663 PF14666 PF14664 PF14665 PF14668	6.0	IC50	ChEMBL
Q9BPZ7	MAPKAP1	Homo sapiens	Human	PF16978 PF25322 PF05422 PF16979	6.0	IC50	ChEMBL
Q9BVC4	MLST8	Homo sapiens	Human	PF00400	6.0	IC50	ChEMBL