Showing entry for N-Isobutyl-2,4,8,10,12-tetradecapentaenamide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002379
Compound NameN-Isobutyl-2,4,8,10,12-tetradecapentaenamide
Structure
FormulaC18H27NO
InchiKeyKVUKDCFEXVWYBN-FMBIJHKPSA-N
SMILESC\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C
InchiInChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
IUPAC(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Molecular Weight273.41
Pubchem Id5318518
Chembl IdCHEMBL3086844
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 n.a
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
CHEMBL CHEMBL3086844
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
P23945 BXGT008931 Follicle-stimulating hormone receptor reviewed G-protein coupled receptor FSHR Activity '=' 5 %
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Activity '=' 5 %
P23945 BXGT008931 Follicle-stimulating hormone receptor reviewed G-protein coupled receptor FSHR Inhibition '=' 68 %
Q9H3N8 BXGT020463 Histamine H4 receptor reviewed G-protein coupled receptor HRH4 Activity '=' 18 %
Q9Y2T6 BXGT022247 G-protein coupled receptor 55 reviewed G-protein coupled receptor GPR55 Activity '=' 67 %
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 EC50 '=' 41 nM
Q9NSD7 BXGT021205 Relaxin-3 receptor 1 reviewed G-protein coupled receptor RXFP3 Inhibition '=' -81 %
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Inhibition '=' 72 %
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Inhibition '=' 15 %
P49683 BXGT010726 Prolactin-releasing peptide receptor reviewed G-protein coupled receptor PRLHR Activity '=' 5 %
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Inhibition '=' 57 %
Q9NSD7 BXGT021205 Relaxin-3 receptor 1 reviewed G-protein coupled receptor RXFP3 Activity '=' 18 %
P43116 BXGT010357 Prostaglandin E2 receptor EP2 subtype reviewed G-protein coupled receptor PTGER2 Activity '=' 7 %
Q8TDV0 BXGT018815 Probable G-protein coupled receptor 151 reviewed G-protein coupled receptor GPR151 Activity '=' 76 %
P49683 BXGT010726 Prolactin-releasing peptide receptor reviewed G-protein coupled receptor PRLHR Inhibition '=' 52 %
Q9H3N8 BXGT020463 Histamine H4 receptor reviewed G-protein coupled receptor HRH4 Inhibition '=' -54 %
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 IC50 '=' 100 nM
Q9UNW8 BXGT021793 Probable G-protein coupled receptor 132 reviewed G-protein coupled receptor GPR132 Activity '=' 61 %
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Inhibition '=' 37 %
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 Inhibition '=' 64 %
P43116 BXGT010357 Prostaglandin E2 receptor EP2 subtype reviewed G-protein coupled receptor PTGER2 Inhibition '=' -52 %
P34972 BXGT009779 Cannabinoid receptor 2 reviewed G-protein coupled receptor CNR2 IC50 '=' 664 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00557 Black salsify Scorzonera hispanica Vegetables
BXGF00818 Herbs and Spices Herbs and Spices
BXGF01119 Trapa japonica Trapa japonica Medicinal Plant
BXGF01339 Diospyros peregrina Diospyros peregrina Medicinal Plant
BXGF01363 Diospyros elliptifolia Diospyros elliptifolia Others
BXGF01525 Diospyros abyssinica Diospyros abyssinica Medicinal Plant
BXGF01572 Cratystylis conocephala Cratystylis conocephala Others
BXGF01645 Beaucarnea recurvata Beaucarnea recurvata Others
BXGF05331 Centaurea arenaria Centaurea arenaria Others
BXGF05638 Gutenbergia cordifolia Gutenbergia cordifolia Medicinal Plant
BXGF06247 Phyllodium pulchellum Phyllodium pulchellum Medicinal Plant
BXGF06286 Mikania scandens Mikania scandens Medicinal Plant
BXGF06326 Cotylelobium scabriusculum Cotylelobium scabriusculum 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