Showing entry for Conessine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049926
Compound NameConessine
Structure
FormulaC24H40N2
InchiKeyGPLGAQQQNWMVMM-MYAJQUOBSA-N
SMILESCN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C
InchiInChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
IUPAC
Molecular Weight356.32
Pubchem Id441082
Chembl IdCHEMBL191703
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 27193
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 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 5.37 - - -
reviewed BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 >10000 - - -
reviewed BXGT009004 Histamine H2 receptor reviewed G-protein coupled receptor HRH2 >10000 - - -
reviewed BXGT021392 Histamine H3 receptor reviewed Hrh3 24.5 - - -
reviewed BXGT020463 Histamine H4 receptor reviewed G-protein coupled receptor HRH4 >10000 - - -
reviewed BXGT021392 Histamine H3 receptor reviewed Hrh3 25 - - -
reviewed BXGT021392 Histamine H3 receptor reviewed Hrh3 66 - - -
CHEMBL CHEMBL191703
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
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Inhibition '=' 45 %
Q9QYN8 BXGT021392 Histamine H3 receptor reviewed - Hrh3 Ki '=' 24 nM
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Inhibition '=' 91 %
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 pKb '=' 7 -
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 pKb '=' 8 -
P25021 BXGT009004 Histamine H2 receptor reviewed G-protein coupled receptor HRH2 Ki '>' 10000 nM
P35367 BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 Ki '>' 10000 nM
Q9H3N8 BXGT020463 Histamine H4 receptor reviewed G-protein coupled receptor HRH4 Ki '>' 10000 nM
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 Ki '=' 5 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 6309 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 31622 nM
Q9QYN8 BXGT021392 Histamine H3 receptor reviewed - Hrh3 Ki '=' 24 nM
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 pKb '=' 6 -
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki '=' 10 nM
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 Ki '=' 5 nM
Q9QYN8 BXGT021392 Histamine H3 receptor reviewed - Hrh3 pKb - - -
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 7943 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 2511 nM
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki '=' 10 nM
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 Ki '=' 3 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 44668 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Q9QYN8 BXGT021392 Histamine H3 receptor reviewed - Hrh3 Ki '=' 12 nM
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Inhibition '=' 73 %
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Inhibition '=' 25 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 100 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 29 %
Q9QYN8 BXGT021392 Histamine H3 receptor reviewed - Hrh3 Ki '=' 66 nM
Q9QYN8 BXGT021392 Histamine H3 receptor reviewed - Hrh3 pKb '=' 6 -
Q9JI35 BXGT020813 Histamine H3 receptor reviewed - HRH3 Kd '=' 281 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23715 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 111 %
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki '=' 660 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 45 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29855 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00920 Vincetoxicum stauntonii Vincetoxicum stauntonii Others
BXGF00961 Mentha suaveolens Mentha suaveolens Medicinal Plant
BXGF01006 Protea compacta Protea compacta Others
BXGF01057 Alpinia formosana Alpinia formosana Others
BXGF01120 Rubus moluccanus Rubus moluccanus Medicinal Plant
BXGF01172 Bidens parviflora Bidens parviflora Medicinal Plant
BXGF01427 Heliotropium angiospermum Heliotropium angiospermum Medicinal Plant
BXGF01542 Asparagus setaceus Asparagus setaceus Medicinal Plant
BXGF01724 Typhonium flagelliforme Typhonium flagelliforme Medicinal Plant
BXGF01792 Papaver hybrid Papaver hybrid Others
BXGF01831 Piper hostmannianum Piper hostmannianum Others
BXGF01863 Elsholtzia stauntonii Elsholtzia stauntonii Human Edible Plant
BXGF01869 Flindersia australis Flindersia australis Others
BXGF03202 Anisocycla grandidieri Anisocycla grandidieri Others
BXGF03877 Prostanthera prunelloides Prostanthera prunelloides Others
BXGF04273 Funtumia elastica Funtumia elastica Medicinal Plant
BXGF04288 Leucas volkensii Leucas volkensii Others
BXGF05114 Bambusa tulda Bambusa tulda Medicinal Plant
BXGF05410 Diplospora dubia Diplospora dubia Others
BXGF05691 Pinus bungeana Pinus bungeana Medicinal Plant
BXGF05880 Holarrhena pubescens Holarrhena pubescens Medicinal Plant
BXGF06067 Haemanthus tigrinus Haemanthus tigrinus Others
BXGF06135 Croton balsamifer Croton balsamifer 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