Showing entry for Codeine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005870
Compound NameCodeine
Structure
FormulaC18H21NO3
InchiKeyOROGSEYTTFOCAN-DNJOTXNNSA-N
SMILES[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
InchiInChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
IUPAC(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.0?,1?.0?,1?]octadeca-7(18),8,10,15-tetraen-14-ol
Molecular Weight299.36
Pubchem Id5284371
Chembl IdCHEMBL485
Targets of Information Source
DrugBank DB00318
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 agonist
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 approved; illicit agonist
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 approved; illicit 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 50019351
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 BXGT019692 Mas-related G-protein coupled receptor member X2 reviewed G-protein coupled receptor MRGPRX2 - - - 10000
reviewed BXGT019692 Mas-related G-protein coupled receptor member X2 reviewed G-protein coupled receptor MRGPRX2 - - - 6800
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 - >10000 - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 - >9300 - -
reviewed BXGT009730 Kappa-type opioid receptor reviewed Oprk1 - 10000 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - 0.00001 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - 10 - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - 520 - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 - 15000 - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - 105 - -
reviewed BXGT007860 Cytochrome P450 2D3 reviewed Cyp2d3 - 4089000 - -
reviewed BXGT007593 Cytochrome P450 2D1 reviewed Cyp2d1 - 1320000 - -
reviewed BXGT007594 Cytochrome P450 2D26 reviewed Cyp2d26 - 238000 - -
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 - 104000 - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 301995.17 - -
CHEMBL CHEMBL485
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
P06133 BXGT006414 UDP-glucuronosyltransferase 2B4 reviewed - UGT2B4 Activity - - -
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 KT '=' 13 -
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 IC50 '=' 15000 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ratio '>' 89 -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ratio '>' 89 -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '=' 104000 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Activity - - -
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 9 pmol/min/mg protein
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 0 pm/min/mg
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Activity '=' 54 pm/min/mg
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Emax '=' 81 %
Q8BW75 BXGT017924 Amine oxidase [flavin-containing] B reviewed - Maob Activity - - -
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Activity - - -
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki '=' 25411 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki '=' 6300 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Activity '=' 80 pm/min/mg
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Activity '=' 0 pm/min/mg
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 IC50 '>' 9300 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 74 pmol/min/mg protein
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Kp '=' 11 -
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 EC50 '=' 6100 nM
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Inhibition '=' 39 %
Q9NY46 BXGT021248 Sodium channel protein type 3 subunit alpha reviewed Ion channel SCN3A Inhibition '=' 5 %
Q99250 BXGT019913 Sodium channel protein type 2 subunit alpha reviewed Ion channel SCN2A Inhibition '=' 5 %
P35498 BXGT009838 Sodium channel protein type 1 subunit alpha reviewed Ion channel SCN1A Inhibition '=' 5 %
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki '=' 727 nM
P10633 BXGT007593 Cytochrome P450 2D1 reviewed - Cyp2d1 IC50 '=' 1320000 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Activity '=' 114 pm/min/mg
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 IC50 '=' 105 nM
P10634 BXGT007594 Cytochrome P450 2D26 reviewed - Cyp2d26 IC50 '=' 238000 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 400000 nM
P33534 BXGT009730 Kappa-type opioid receptor reviewed - Oprk1 IC50 '=' 10000 nM
P32300 BXGT009618 Delta-type opioid receptor reviewed - Oprd1 IC50 '=' 10000 nM
P42866 BXGT010343 Mu-type opioid receptor reviewed - Oprm1 IC50 '=' 10000 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 301995 nM
Q64680 BXGT016129 Cytochrome P450 2D4 reviewed - Cyp2d4 IC50 '=' 2216000 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ki '=' 52207 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 0 pm/min/mg
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Activity '=' 1 pm/min/mg
P12938 BXGT007860 Cytochrome P450 2D3 reviewed - Cyp2d3 IC50 '=' 4089000 nM
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 0 pm/min/mg
P35503 BXGT009840 UDP-glucuronosyltransferase 1-3 reviewed - UGT1A3 Activity '=' 0 pm/min/mg
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 1800000 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
BXGF00883 Chrozophora prostrata Chrozophora prostrata Medicinal Plant
BXGF03870 Aloe microstigma Aloe microstigma Others
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