Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE
PubChem ID:4369234
Pathway:Show KEGG pathways
InChI:InChI=1/C19H19N7O8/c20-16-12-17(23-6-22-16)25(7-24-12)19-15(30)14(29)11(34-19)2-1-3-21-18(31)9-4-8(26(32)33)5-10(27)13(9)28/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,21,31)(H2,20,22,23)/b2-1+/t11-,14-,15-,19-/m1/s1/f/h21H,20H2
SMILES:C(/[H])(=C(\[H])[C@H]1[C@H]([C@H]([C@@H](n2cnc3c(N)ncnc23)O1)O)O)CNC(c1cc(cc(c1O)O)N(=O)=O)=O

Properties:
Formula:C19H19N7O8Atoms:40
Molecular Weight:473.396Rotatable Bonds:7
H-bond Acceptors:13H-bond Donors:0
logP:0.8286
Targets:
NameUniprot IDSourceReferencesInteraction
Catechol O-methyltransferaseCOMT_RATDrugBank-shows
Synonyms:
AC1N9ZT2
CHEBI:41491
CHEMBL1231808
CID4369234
CL4
N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]pro
N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE