Showing entry for Cannabidiol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040150
Compound NameCannabidiol
Structure
FormulaC21H30O2
InchiKeyQHMBSVQNZZTUGM-ZWKOTPCHSA-N
SMILESCCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C
InchiInChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
IUPAC2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Molecular Weight314.22
Pubchem Id644019
Chembl IdCHEMBL190461
Targets of Information Source
DrugBank DB09061
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
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 approved; investigational antagonist,modulator
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 approved; investigational antagonist
P47775 BXGT010586 G-protein coupled receptor 12 reviewed G-protein coupled receptor GPR12 approved; investigational inverse agonist
P23415 BXGT008864 Glycine receptor subunit alpha-1 reviewed Ion channel GLRA1 approved; investigational -
P48167 BXGT010621 Glycine receptor subunit beta reviewed Ion channel GLRB approved; investigational allosteric modulator
O75311 BXGT005109 Glycine receptor subunit alpha-3 reviewed Ion channel GLRA3 approved; investigational potentiator
Q14330 BXGT013461 N-arachidonyl glycine receptor reviewed G-protein coupled receptor GPR18 approved; investigational -
Q9Y2T6 BXGT022247 G-protein coupled receptor 55 reviewed G-protein coupled receptor GPR55 approved; investigational antagonist
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A approved; investigational agonist
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A approved; investigational agonist
P36544 BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed - CHRNA7 approved; investigational -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 approved; investigational -
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 approved; investigational -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG approved; investigational activator
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 approved; investigational activator
O43497 BXGT004596 Voltage-dependent T-type calcium channel subunit alpha-1G reviewed Ion channel CACNA1G approved; investigational -
O95180 BXGT005358 Voltage-dependent T-type calcium channel subunit alpha-1H reviewed Ion channel CACNA1H approved; investigational -
Q9P0X4 BXGT021293 Voltage-dependent T-type calcium channel subunit alpha-1I reviewed Ion channel CACNA1I approved; investigational -
O75762 BXGT005151 Transient receptor potential cation channel subfamily A member 1 reviewed Ion channel TRPA1 approved; investigational agonist
Q7Z2W7 BXGT017248 Transient receptor potential cation channel subfamily M member 8 reviewed Ion channel TRPM8 approved; investigational -
Q9Y5S1 BXGT022300 Transient receptor potential cation channel subfamily V member 2 reviewed Ion channel TRPV2 approved; investigational activator
Q8NET8 BXGT018557 Transient receptor potential cation channel subfamily V member 3 reviewed Ion channel TRPV3 approved; investigational activator
Q9HBA0 BXGT020516 Transient receptor potential cation channel subfamily V member 4 reviewed Ion channel TRPV4 approved; investigational activator
P21796 BXGT008690 Voltage-dependent anion-selective channel protein 1 reviewed - VDAC1 approved; investigational -
P46098 BXGT010507 5-hydroxytryptamine receptor 3A reviewed Ion channel HTR3A approved; investigational antagonist
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 approved; investigational activator
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 approved; investigational inhibitor
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 approved; investigational inhibitor
P24752 BXGT008993 Acetyl-CoA acetyltransferase, mitochondrial reviewed Enzyme ACAT1 approved; investigational inhibitor
P05093 BXGT006313 Steroid 17-alpha-hydroxylase/17,20 lyase reviewed - CYP17A1 approved; investigational inhibitor
P04035 BXGT006129 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed - HMGCR approved; investigational stimulator
P00390 BXGT005526 Glutathione reductase, mitochondrial reviewed Enzyme GSR approved; investigational stimulator
P07203 BXGT006566 Glutathione peroxidase 1 reviewed Enzyme GPX1 approved; investigational stimulator
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 approved; investigational inhibitor
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 approved; investigational inhibitor
P15559 BXGT008139 NAD(P)H dehydrogenase [quinone] 1 reviewed - NQO1 approved; investigational inhibitor
P04040 BXGT006132 Catalase reviewed Enzyme CAT approved; investigational inhibitor
P20815 BXGT008604 Cytochrome P450 3A5 reviewed Enzyme CYP3A5 approved; investigational inhibitor
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 approved; investigational inhibitor
P00441 BXGT005540 Superoxide dismutase [Cu-Zn] reviewed Enzyme SOD1 approved; investigational inhibitor
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 approved; investigational inhibitor
P24462 BXGT022674 Cytochrome P450 3A7 reviewed - CYP3A7 approved; investigational inhibitor
F1T0I5 BXGT022675 Arylalkylamine N-acetyltransferase (Serotonin N-acetyltransferase) unreviewed - AANAT hCG_3-892 approved; investigational inhibitor
Q02083 BXGT012633 N-acylethanolamine-hydrolyzing acid amidase reviewed Enzyme NAAA approved; investigational inhibitor
PDB P0T
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
Q9WUD2 BXGT021939 Transient receptor potential cation channel subfamily V member 2 reviewed Trpv2 - - - - -
Binding DB 50121429
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 BXGT007836 Fatty acid-binding protein, liver reviewed Fabp1 167 - - -
reviewed BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 2860 - - -
reviewed BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 4350 - - -
reviewed BXGT010599 Cannabinoid receptor 2 reviewed Cnr2 230 - - -
reviewed BXGT008556 Cannabinoid receptor 1 reviewed Cnr1 1265 - - -
reviewed BXGT008556 Cannabinoid receptor 1 reviewed Cnr1 >10000 - - -
reviewed BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 10000 - - -
reviewed BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 2400 - - -
reviewed BXGT022247 G-protein coupled receptor 55 reviewed G-protein coupled receptor GPR55 - - - 445
reviewed BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed Trpa1 - - - 96
CHEMBL CHEMBL190461
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
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Ki '=' 10000 nM
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Relative potency '=' 0 -
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Relative potency '=' 0 -
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Ki '=' 4350 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Ki '=' 150 nM
P20272 BXGT008556 Cannabinoid receptor 1 reviewed - Cnr1 Ki '>' 10000 nM
Q9Y2T6 BXGT022247 G-protein coupled receptor 55 reviewed G-protein coupled receptor GPR55 EC50 '=' 445 nM
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Log Ki '=' 3 nM
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Ki '=' 2400 nM
P20272 BXGT008556 Cannabinoid receptor 1 reviewed - Cnr1 Ki '=' 1265 nM
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Log Ki '=' 3 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 EC50 '=' 96 nM
P47936 BXGT010599 Cannabinoid receptor 2 reviewed - Cnr2 Ki '=' 230 nM
O08914 BXGT004045 Fatty-acid amide hydrolase 1 reviewed - Faah Inhibition '=' 66 %
Q64459 BXGT016120 Cytochrome P450 3A11 reviewed - Cyp3a11 mechanism based inhibition - - -
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Inhibition - - -
P22002 BXGT008717 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed - Cacna1c IC50 '=' 100 nM
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Ki '=' 2860 nM
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05853 Cannabis sativa Cannabis sativa 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