Showing entry for Isoguanosine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021235
Compound NameIsoguanosine
Structure
FormulaC10H13N5O5
InchiKeyMIKUYHXYGGJMLM-UUOKFMHZSA-N
SMILESOC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(O)nc2N
InchiInChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
IUPAC6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Molecular Weight283.09
Pubchem Id65085
Chembl IdCHEMBL1688963
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 82031
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 94.1 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 331 - - -
reviewed BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 467 - - -
reviewed BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A 495 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 348 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 94 - - -
reviewed BXGT010581 Adenosine receptor A1 reviewed ADORA1 - - - 1148
CHEMBL CHEMBL1688963
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 94 nM
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A Ratio '=' 18 -
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B Ratio '=' 18 -
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 Ratio '=' 18 -
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 330 nM
P29276 BXGT009329 Adenosine receptor A2b reviewed - Adora2b Ki '=' 330 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ratio '=' 3 -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ratio '=' 3 -
P29276 BXGT009329 Adenosine receptor A2b reviewed - Adora2b Ratio '=' 3 -
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 331 nM
P29276 BXGT009329 Adenosine receptor A2b reviewed - Adora2b Ki '=' 331 nM
P47745 BXGT010581 Adenosine receptor A1 reviewed - ADORA1 EC50 '=' 1148 nM
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A EC50 '=' 79 nM
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B EC50 '=' 79 nM
Q6DHV7 BXGT016246 Adenosine deaminase-like protein reviewed - ADAL Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04915 Croton tiglium Croton tiglium Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease