Showing entry for 5-Hexyl-2-methylpyridine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003249
Compound Name5-Hexyl-2-methylpyridine
Structure
FormulaC16H22N4
InchiKeyDPOXNTYFLHVMNX-UHFFFAOYSA-N
SMILESCCCCNC1=NC(NCC2=CC=CC=C2)=NC(C)=C1
InchiInChI=1S/C16H22N4/c1-3-4-10-17-15-11-13(2)19-16(20-15)18-12-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H2,17,18,19,20)
IUPACN2-benzyl-N4-butyl-6-methylpyrimidine-2,4-diamine
Molecular Weight270.37
Pubchem Id659917
Chembl IdCHEMBL530361
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 36902
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 BXGT008654 Sphingosine 1-phosphate receptor 1 reviewed G-protein coupled receptor S1PR1 - - - 5392
reviewed BXGT008654 Sphingosine 1-phosphate receptor 1 reviewed G-protein coupled receptor S1PR1 - - - 12800
reviewed BXGT008654 Sphingosine 1-phosphate receptor 1 reviewed G-protein coupled receptor S1PR1 - - - 4828
reviewed BXGT013335 Steroidogenic factor 1 reviewed Nuclear receptor NR5A1 - 9372 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - >20000 - -
CHEMBL CHEMBL530361
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
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7079 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 10000 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 15848 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 31622 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 12589 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 14581 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 6309 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 25118 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 28183 nM
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '>' 20000 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 15848 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 7079 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 44668 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 10000 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 12589 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 25929 nM
O97467 BXGT005437 Hexose transporter 1 unreviewed - ht1 Inhibition '=' 16 %
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 18356 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 891 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 9200 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5804 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 14125 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 8912 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 10000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 17782 nM
O61059 BXGT004913 Glucose transporter unreviewed - LmGT2 Inhibition '=' 5 %
P11166 BXGT007661 Solute carrier family 2, facilitated glucose transporter member 1 reviewed Transporter SLC2A1 Inhibition '=' 22 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00057 Sweet orange Citrus sinensis Fruits
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