IBD Research Resource Center

BioID	bio3327
Name	IOHEXOL
ChEMBL ID	CHEMBL1200455
Molecular Formula	C19H26I3N3O9
Molecular Weight	821.14
Molecular Weight (Monoisotopic)	820.8803
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	Exypaque\|IOHEXOL\|IOHEXOLUM\|NSC-759636\|OMNIPAQUE 12\|OMNIPAQUE 140\|OMNIPAQUE 180\|OMNIPAQUE 210\|OMNIPAQUE 240\|OMNIPAQUE 300\|OMNIPAQUE 350\|OMNIPAQUE 70\|OMNIPAQUE 9\|ORALTAG\|Omnipaque\|WIN 39424\|WIN-39424
Smiles	CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Inchi	InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
Inchi Key	NTHXOOBQLCIOLC-UHFFFAOYSA-N
Molecular Species	NEUTRAL
Targets	71.0
Bioactivities	129.0
Np Likeness Score	-0.37
Records Key	['SID144205839', 'Iohexol', 'Iohexol', 'Iohexol', 'SID56322616', 'SID29217758', 'iohexol', 'IOHEXOL', 'Iohexol', 'IOHEXOL', 'IOHEXOL', '20', 'SID170464962', 'IOHEXOL', 'iohexol', 'Iohexol', 'COVC-3361826001', 'BA1000602', 'iohexol', '1']
Records Name	['SID144205839', 'Iohexol', 'Iohexol', 'Iohexol', 'SID56322616', 'SID29217758', 'iohexol', 'IOHEXOL', 'Iohexol', 'IOHEXOL', 'IOHEXOL', 'Iohexol', 'SID170464962', 'IOHEXOL', 'iohexol', 'Iohexol', 'IOHEXOL', 'IOHEXOL', 'iohexol', '5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide']
Withdrawn Flag	False
Orphan	0