IBD Research Resource Center

BioID	bio4205
Name	APADENOSON
ChEMBL ID	CHEMBL1950649
Molecular Formula	C23H30N6O6
Molecular Weight	486.53
Molecular Weight (Monoisotopic)	486.2227
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar4
Target Name	Thromboxane-A synthase (TBXAS1)
Synonyms	APADENOSON\|Apadenoson\|BMS-068645\|BMS068645\|DWH-146E\|Stedivaze
Smiles	CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O
Inchi	InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1
Inchi Key	FLEVIENZILQUKB-XTWQNQIISA-N
Molecular Species	NEUTRAL
Targets	6.0
Bioactivities	11.0
Np Likeness Score	0.34
Records Key	['APADENOSON', 'APADENOSON', '3, ATL146e', '7', '19, ATL-146e, apadenoson', '18, ATL146e', 'COVC-0136761077']
Records Name	['APADENOSON', 'APADENOSON', 'methyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-ynyl)cyclohexanecarboxylate', 'apadenoson', '[trans-4-{3-[6-amino-9-(N-ethyl-beta-D-ribofuranosyluronamide)-9H-purin-2-yl]prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester', 'Apadenoson', 'APADENOSON']
Withdrawn Flag	False
Orphan	0