IBD Research Resource Center

BioID	bio2709
Name	EVODENOSON
ChEMBL ID	CHEMBL1950651
Molecular Formula	C23H29N7O6
Molecular Weight	499.53
Molecular Weight (Monoisotopic)	499.2179
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	ATL-313\|ATL313\|ATL313, DE-112\|DE-112\|EVODENOSON\|Evodenoson
Smiles	COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)[C@@H](O)[C@H]4O)c3n2)CC1
Inchi	InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1
Inchi Key	SQJXTUJMBYVDBB-RQXXJAGISA-N
Molecular Species	NEUTRAL
Targets	1.0
Bioactivities	2.0
Np Likeness Score	0.07
Records Key	['EVODENOSON', 'EVODENOSON', '21, ATL-313', 'AR-9; ATL-313']
Records Name	['EVODENOSON', 'EVODENOSON', 'methyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-ynyl)piperidine-1-carboxylate', 'methyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-ynyl)piperidine-1-carboxylate']
Withdrawn Flag	False
Orphan	0