Showing entry for Oxycodone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049170
Compound NameOxycodone
Structure
FormulaC18H21NO4
InchiKeyBRUQQQPBMZOVGD-XFKAJCMBSA-N
SMILESCOc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)C
InchiInChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
IUPAC(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Weight315.15
Pubchem Id5284603
Chembl IdCHEMBL656
Targets of Information Source
DrugBank DB00497
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
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 approved; illicit; investigational agonist
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 approved; illicit; investigational agonist
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 approved; illicit; investigational agonist
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 50370595
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 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 133.48 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - - - 478
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 43.6 - - -
reviewed BXGT009780 Kappa-type opioid receptor reviewed Oprk1 2658 - - -
reviewed BXGT009729 Delta-type opioid receptor reviewed Oprd1 1087 - - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache - 76200 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 >10000 - - -
reviewed BXGT009729 Delta-type opioid receptor reviewed Oprd1 >10000 - - -
reviewed BXGT010224 Kappa-type opioid receptor reviewed OPRK1 >10000 - - -
CHEMBL CHEMBL656
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
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Inhibition '=' 47 %
P42866 BXGT010343 Mu-type opioid receptor reviewed - Oprm1 Inhibition '=' 97 %
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 EC50 '=' 16000 nM
P33533 BXGT009729 Delta-type opioid receptor reviewed - Oprd1 Ki '=' 1087 nM
P33534 BXGT009730 Kappa-type opioid receptor reviewed - Oprk1 EC50 '=' 16000 nM
Q14994 BXGT013519 Nuclear receptor subfamily 1 group I member 3 reviewed Nuclear receptor NR1I3 Activity - - -
P41144 BXGT010224 Kappa-type opioid receptor reviewed - OPRK1 Ki '>' 10000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 80 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '=' 76200 nM
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Activity - - -
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Selectivity ratio '=' 25 -
P33533 BXGT009729 Delta-type opioid receptor reviewed - Oprd1 Selectivity ratio '=' 25 -
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Ki '=' 43 nM
P33533 BXGT009729 Delta-type opioid receptor reviewed - Oprd1 Ki '>' 10000 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Inhibition '=' 93 %
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 EC50 '=' 4000 nM
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Ki '>' 10000 nM
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 0 pm/min/mg
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 0 pm/min/mg
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Inhibition '=' 93 %
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 EC50 '=' 500 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 EC50 '=' 478 nM
O35627 BXGT004535 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity - - -
P33534 BXGT009730 Kappa-type opioid receptor reviewed - Oprk1 Inhibition '=' 59 %
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Activity - - -
P34975 BXGT009780 Kappa-type opioid receptor reviewed - Oprk1 Ki '=' 2658 nM
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Activity - - -
P42866 BXGT010343 Mu-type opioid receptor reviewed - Oprm1 EC50 '=' 160 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki '=' 133 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
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