IBD Research Resource Center

BioID	bio2720
Name	REPOTRECTINIB
ChEMBL ID	CHEMBL4298138
Molecular Formula	C18H18FN5O2
Molecular Weight	355.37
Molecular Weight (Monoisotopic)	355.1445
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	Augtyro\|REPOTRECTINIB\|TPX-0005\|TRX-0005
Smiles	C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1
Inchi	InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
Inchi Key	FIKPXCOQUIZNHB-WDEREUQCSA-N
Molecular Species	NEUTRAL
Targets	29.0
Bioactivities	132.0
Np Likeness Score	-0.53
Records Key	['TPX-0005', 'REPOTRECTINIB', '12; TPX-0005', 'REPOTRECTINIB', 'TPX-0005', '10; TPX-0005', '7; TPX-0005', '1', '4', 'Repotrectinib', 'TPX-0005', 'TPX-0005', 'EOS100296', 'TPX-0005', 'TPX-0005', 'TPX-0005', 'Repotrectinib', 'Repotrectinib', '9', '4', 'REPOTRECTINIB']
Records Name	['TPX-0005', 'REPOTRECTINIB', 'Repotrectinib', 'REPOTRECTINIB', 'TPX-0005', 'NA', 'NA', 'NA', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'TPX-0005', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'Repotrectinib', 'REPOTRECTINIB']
Withdrawn Flag	False
Orphan	0