IBD Research Resource Center

BioID	bio3403
Name	TEZACAFTOR
ChEMBL ID	CHEMBL3544914
Molecular Formula	C26H27F3N2O6
Molecular Weight	520.5
Molecular Weight (Monoisotopic)	520.1821
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar18
Target Name	Serine/threonine-protein kinase cot (COT)
Synonyms	TEZACAFTOR\|Tezacaftor\|VX-661
Smiles	CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO
Inchi	InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1
Inchi Key	MJUVRTYWUMPBTR-MRXNPFEDSA-N
Molecular Species	NEUTRAL
Targets	58.0
Bioactivities	82.0
Np Likeness Score	-0.94
Records Key	['TEZACAFTOR', 'VX-661', 'TEZACAFTOR', 'TEZACAFTOR', 'VX-661', 'VX-661', 'TEZACAFTOR', 'VX-661', 'TEZACAFTOR', 'VX-661', '315', 'VX-661', '41', 'VX-661', 'tezacaftor']
Records Name	['TEZACAFTOR', 'VX-661', 'TEZACAFTOR', 'TEZACAFTOR', '(R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide', 'VX-661', 'TEZACAFTOR', 'VX-661', 'TEZACAFTOR', 'VX-661', '(R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide', 'VX-661', 'Tezacaftor', 'Tezacaftor', 'tezacaftor']
Withdrawn Flag	False
Orphan	0