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Drug Details

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Name:CHEMBL206085
PubChem ID:44410636
Pathway:Show KEGG pathways
InChI:InChI=1S/C19H21IN8O4/c1-22-17(30)14-11(27-19(21)31)13(29)18(32-14)28-8-26-12-15(24-7-25-16(12)28)23-6-9-3-2-4-10(20)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,22,30)(H3,21,27,31)(H,23,24,25)/t11-,13+,14-,18+/m0/s1
SMILES:CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1NC(=O)N)O)n1cnc2c1ncnc2NCc1cccc(c1)I

Properties:
Formula:C19H21IN8O4Atoms:32
Molecular Weight:552.326Rotatable Bonds:8
H-bond Acceptors:12H-bond Donors:5
logP:1.6393
Targets:
NameUniprot IDSourceReferencesInteraction
Adenosine A3 receptorAA3R_HUMANBindingDB-shows
Synonyms:
CHEBI:445803
CHEMBL206085