IBD Research Resource Center

BioID	bio2898
Name	LAROTRECTINIB SULFATE
ChEMBL ID	CHEMBL3989939
Molecular Formula	C21H24F2N6O6S
Molecular Weight	526.52
Molecular Weight (Monoisotopic)	428.1772
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	ARRY-470 SULFATE\|LAROTRECTINIB SULFATE\|LOXO-101 sulfate\|Vitrakvi
Smiles	O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O
Inchi	InChI=1S/C21H22F2N6O2.H2O4S/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27;1-5(2,3)4/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31);(H2,1,2,3,4)/t14-,18+;/m0./s1
Inchi Key	PXHANKVTFWSDSG-QLOBERJESA-N
Molecular Species	NEUTRAL
Targets	8.0
Bioactivities	20.0
Np Likeness Score	-1.76
Records Key	['LAROTRECTINIB SULFATE', 'LAROTRECTINIB SULFATE', 'LAROTRECTINIB SULFATE', 'Larotrectinib sulfate', 'Larotrectinib sulfate', 'LAROTRECTINIB SULFATE', '3; LOXO-101, ARRY-470', 'LOXO-101', 'LAROTRECTINIB SULFATE']
Records Name	['LAROTRECTINIB SULFATE', 'LAROTRECTINIB SULFATE', 'LAROTRECTINIB SULFATE', 'Larotrectinib sulfate', 'Larotrectinib sulfate', 'LAROTRECTINIB SULFATE', 'Larotrectinib sulfate', 'Larotrectinib sulfate', 'LAROTRECTINIB SULFATE']
Withdrawn Flag	False
Orphan	0