IBD Research Resource Center

BioID	bio3163
Name	SELITRECTINIB
ChEMBL ID	CHEMBL4297627
Molecular Formula	C20H21FN6O
Molecular Weight	380.43
Molecular Weight (Monoisotopic)	380.1761
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	LOXO-195\|SELITRECTINIB
Smiles	C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1
Inchi	InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
Inchi Key	OEBIHOVSAMBXIB-SJKOYZFVSA-N
Molecular Species	NEUTRAL
Targets	34.0
Bioactivities	263.0
Np Likeness Score	-0.95
Records Key	['LOXO-195', '9; LOXO-195', 'LOXO-195', 'SELITRECTINIB', '4; LOXO-195', 'EUB0000640a', 'LOXO-195', '8', 'EUB0000640a', 'EUB0000640a', 'LOX0195', '3', 'LOXO-195', 'Selitrectinib', 'LOXO-195', 'LOXO-195', 'EUB0000640a', 'EUB0000640a', '19; LOXO-195', 'selitrectinib', 'EUB0000640a', 'Selitrectinib', '3', '3; LOXO-195', '3']
Records Name	['LOXO-195', 'NA', 'LOXO-195', 'SELITRECTINIB', 'NA', 'LOXO-195', 'Selitrectinib', 'Selitrectinib', 'LOXO-195', 'LOXO-195', 'Selitrectinib', 'Selitrectinib', 'Selitrectinib', 'Selitrectinib', '(13E,14E,22R,6R)-35-fluoro-6-methyl-7-aza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(3,2)-pyridina-2(1,2)-pyrrolidinacyclooctaphan-8-one', 'Selitrectinib', 'LOXO-195', 'LOXO-195', 'Selitrectinib', 'selitrectinib', 'LOXO-195', 'Selitrectinib', 'Selitrectinib', 'Selitrectinib', 'Selitrectinib']
Withdrawn Flag	False
Orphan	0