Showing entry for Papaverine Hydrochloride


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0016886
Compound NamePapaverine Hydrochloride
Structure
FormulaC20H21NO4.ClH
InchiKeyUOTMYNBWXDUBNX-UHFFFAOYSA-N
SMILESCOc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC.Cl
InchiInChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H
IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydron;chloride
Molecular Weight339.15
Pubchem Id6084
Chembl IdCHEMBL98123
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 CHEMBL98123
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 '=' 3162 nM
Q9UM07 BXGT021771 Protein-arginine deiminase type-4 reviewed - PADI4 IC50 '=' 39000 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 6309 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '>' 380000 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 112 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 12589 nM
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed - chrnd Bmax '=' 2 uM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 50118 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 100000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 2511 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 14581 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2546 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 19952 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 1258 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 3981 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 19952 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 12589 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 5657 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 501 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 10322 nM
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed - chrnd Kd1 '=' 2 uM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 7943 nM
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed - chrnd Bmax '=' 0 uM
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed - chrnd Kd1 '=' 1 uM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 10000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 17782 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 5011 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 2511 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 6309 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 10000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3981 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5804 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 89125 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 794 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 37933 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 25118 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 2238 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 1995 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 39810 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -11 %
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - EC50 '>' 112219 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 4466 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 7079 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 8199 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 3010 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 501 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 113 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed - chrnd Kd2 '=' 31 uM
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed - chrnd Kd2 '=' 29 uM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 39810 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 39810 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 4466 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 3162 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5080 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 11582 nM
P55212 BXGT011112 Caspase-6 reviewed Enzyme CASP6 AC50 '=' 22030 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 34 %
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 1000 nM
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 7079 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 19952 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 23109 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 266 %
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 89125 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
BXGF05001 Stephania cepharantha Stephania cepharantha 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