Showing entry for Papaveraldine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001558
Compound NamePapaveraldine
Structure
FormulaC20H19NO5
InchiKeyQJTBIAMBPGGIGI-UHFFFAOYSA-N
SMILESCOC1=C(OC)C=C(C=C1)C(=O)C1=NC=CC2=CC(OC)=C(OC)C=C12
InchiInChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3
IUPAC1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline
Molecular Weight353.37
Pubchem Id96932
Chembl IdCHEMBL205040
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 64802
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 BXGT011407 Serine/threonine-protein phosphatase PP1-alpha catalytic subunit reviewed Enzyme PPP1CA - 67047 - -
reviewed BXGT010317 Caspase-3 reviewed Enzyme CASP3 - 8210 - -
reviewed BXGT019693 Sentrin-specific protease 8 reviewed SENP8 - 2470 - -
reviewed BXGT019693 Sentrin-specific protease 8 reviewed SENP8 - >5000 - -
reviewed BXGT020423 Sentrin-specific protease 6 reviewed Enzyme SENP6 - 805 - -
reviewed BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - 24400 - -
reviewed BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - >100000 - -
reviewed BXGT011111 Caspase-9 reviewed Enzyme CASP9 - 4770 - -
CHEMBL CHEMBL205040
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
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 14125 nM
Q9GZR1 BXGT020423 Sentrin-specific protease 6 reviewed Enzyme SENP6 IC50 '=' 805 nM
P62136 BXGT011407 Serine/threonine-protein phosphatase PP1-alpha catalytic subunit reviewed Enzyme PPP1CA IC50 '>' 67047 nM
Q96LD8 BXGT019693 Sentrin-specific protease 8 reviewed - SENP8 IC50 '>' 5000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 2 %
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 2 %
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 39810 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 IC50 '=' 8210 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q9BQF6 BXGT020111 Sentrin-specific protease 7 reviewed Enzyme SENP7 IC50 '=' 1670 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 56234 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '=' 24400 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 38 %
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 1778 nM
Q9BPW0 BXGT020102 Serine/threonine-protein phosphatase unreviewed - PPP5C IC50 '=' 19597 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 50118 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '>' 100000 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 63095 nM
Q96LD8 BXGT019693 Sentrin-specific protease 8 reviewed - SENP8 IC50 '=' 2470 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 100 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
O96028 BXGT005417 Histone-lysine N-methyltransferase NSD2 reviewed Epigenetic regulator NSD2 AC50 '=' 6770 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00197 Broad bean Vicia faba Pulses
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
BXGF00883 Chrozophora prostrata Chrozophora prostrata Medicinal Plant
BXGF03870 Aloe microstigma Aloe microstigma Others
BXGF04977 Papaver sommiferum Papaver sommiferum 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