Showing entry for Chloroquine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046518
Compound NameChloroquine
Structure
FormulaC18H26ClN3
InchiKeyWHTVZRBIWZFKQO-UHFFFAOYSA-N
SMILESCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
InchiInChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
IUPAC4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Molecular Weight319.18
Pubchem Id2719
Chembl IdCHEMBL76
Targets of Information Source
DrugBank DB00608
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
P09210 BXGT006868 Glutathione S-transferase A2 reviewed - GSTA2 approved; investigational; vet_approved inhibitor
P01375 BXGT005753 Tumor necrosis factor reviewed Signaling TNF approved; investigational; vet_approved inhibitor
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 approved; investigational; vet_approved inhibitor
Q8MU52 BXGT018486 Glutathione S-transferase reviewed - GST approved; investigational; vet_approved inhibitor
P09429 BXGT006889 High mobility group protein B1 reviewed Nucleic acid binding HMGB1 approved; investigational; vet_approved inhibitor
P09488 BXGT006899 Glutathione S-transferase Mu 1 reviewed - GSTM1 approved; investigational; vet_approved inhibitor
Q9BYF1 BXGT020186 Angiotensin-converting enzyme 2 reviewed Enzyme ACE2 approved; investigational; vet_approved modulator
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 22985
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 BXGT012424 DNA ligase A reviewed ligA - 46000 - -
reviewed BXGT005709 DNA ligase reviewed 30 - 1600000 - -
reviewed BXGT011425 Calcium-dependent protein kinase 1 reviewed CPK1 - - - 68
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 4.9 - -
reviewed BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed NQO2 - 1500 - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 2500 - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 - 349900 - -
reviewed BXGT005944 Riboflavin-binding protein reviewed - - - 2100 -
reviewed BXGT006156 Major prion protein reviewed PRNP - - - 4000
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 75000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 76500 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 15000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 38000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 76.5 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 60000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 46300 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 910000000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 400 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 1690000000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 252000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 5900000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 2560000000 - -
reviewed BXGT006343 Histidine-rich protein PFHRP-II reviewed - - 15400 - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 2511.89 - -
CHEMBL CHEMBL76
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
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 14125 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 349945 nM
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Inhibition - - -
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Inhibition - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 56 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 15000 nM
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Inhibition - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 75000 nM
P02752 BXGT005944 Riboflavin-binding protein reviewed - Kd '=' 2100 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 110 %
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 2500 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Inhibition '=' 71 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Inhibition '=' 86 %
P46925 BXGT010551 Plasmepsin-2 reviewed - Ki - - -
Q9NZ45 BXGT021269 CDGSH iron-sulfur domain-containing protein 1 reviewed - CISD1 Ki - - -
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Activity '=' 8 %
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Activity '=' 8 %
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 Inhibition '=' 134 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition '=' 99 %
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Papp '=' 44 nm/s
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition - - -
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Inhibition '=' 23 %
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Inhibition '=' 23 %
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Activity '=' 4 %
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Activity '=' 4 %
Q9NR97 BXGT021182 Toll-like receptor 8 reviewed - TLR8 Inhibition - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 60000 nM
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 38000 nM
Q8I6Z5 BXGT018233 Plasmepsin V unreviewed - PF3D7_1323500 Activity - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 252000 nM
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 Inhibition '=' 112 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 105 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Inhibition '=' 55 uM
Q9N6S8 BXGT021120 Cysteine proteinase falcipain 2a unreviewed - IC50 - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 1690000000 nM
P16083 BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed - NQO2 Inhibition - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Inhibition '=' - -
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Inhibition - - -
P00784 BXGT005655 Papain reviewed - IC50 - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 400 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' -7 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 76500 nM
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - VAR '=' 5310 -
Q9N623 BXGT021119 Chloroquine resistance transporter reviewed - CRT Inhibition - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 1 molar ratio
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 2147483647 nM
Q9NAW4 BXGT021125 Cysteine protease falcipain-3 unreviewed - IC50 - - -
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Ratio_ATPase activity '=' 0 -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '=' 113 %
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Inhibition '=' 46 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 2 milliequivalent
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '=' 114 %
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 Activity '=' 102 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 794 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' -1 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 102 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '=' 128 %
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '>' 135000 nM
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Activity '=' 11 %
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Activity '=' 11 %
Q95PM0 BXGT019584 Cysteine protease unreviewed - rhodesain Ki - - -
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Papp '=' 172 nm/s
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 910000000 nM
Q9NYK1 BXGT021258 Toll-like receptor 7 reviewed - TLR7 Activity '=' 12 %
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 Activity '=' 12 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Activity - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Ki '=' 7500 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Inhibition '=' 86 %
P00387 BXGT005525 NADH-cytochrome b5 reductase 3 reviewed - CYB5R3 Activity '=' 0 nM min-1 (mg of protein)-1
P00387 BXGT005525 NADH-cytochrome b5 reductase 3 reviewed - CYB5R3 Methemoglobin '=' 0 -
P90584 BXGT012110 MO15-related protein kinase Pfmrk unreviewed - Pfmrk IC50 '=' 150000 nM
P00376 BXGT005522 Dihydrofolate reductase reviewed - DHFR IC50 '=' 30 nM
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Activity '=' 84 %
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 IC50 '=' 133000 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition '=' 90 %
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Inhibition - - -
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 IC50 - - -
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 IC50 - - -
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 IC50 - - -
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 IC50 - - -
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 IC50 - - -
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 IC50 - - -
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 IC50 - - -
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 IC50 - - -
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 IC50 - - -
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 IC50 - - -
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 IC50 - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 2511 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '=' 111 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 106 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition - - -
Q6T755 BXGT016533 Phosphoethanolamine N-methyltransferase unreviewed - PMT IC50 '=' 554000 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 25118 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Inhibition - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 68 %
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 89125 nM
P04156 BXGT006156 Major prion protein reviewed - PRNP EC50 '=' 4000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Ratio_Papp '=' 3 -
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 % maximum response '=' 2 %
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki '=' 10000 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Ka '=' 2 10^3/M
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Activity - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 46300 nM
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 15400 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP IC50 '=' 7000 nM
Q5BJF2 BXGT026107 Sigma intracellular receptor 2 reviewed Enzyme TMEM97 Ki '=' 501 nM
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki '=' 4365 nM
P07339 BXGT006604 Cathepsin D reviewed Enzyme CTSD IC50 - - -
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 4 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Inhibition '=' 6 %
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 354 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '=' 21877 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C IC50 - - -
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 15848 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 707 nM
P00376 BXGT005522 Dihydrofolate reductase reviewed - DHFR IC50 '=' 0 ug.mL-1
P16083 BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed - NQO2 IC50 '=' 1500 nM
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Inhibition '=' 23 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 36 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition - - -
Q9NZ45 BXGT021269 CDGSH iron-sulfur domain-containing protein 1 reviewed - CISD1 IC50 - - -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 4 ug.mL-1
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - Ratio '=' 2 -
P05227 BXGT006343 Histidine-rich protein PFHRP-II reviewed - IC50 '=' 76 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Ki '=' 3162 nM
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki '=' 3311 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 19 %
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '=' 133000 nM
O15438 BXGT004168 Canalicular multispecific organic anion transporter 2 reviewed Transporter ABCC3 IC50 '=' 133000 nM
Q9NAW2 BXGT026147 Cysteine proteinase falcipain 2a unreviewed - IC50 '=' 200 nM
Q9NAW2 BXGT026147 Cysteine proteinase falcipain 2a unreviewed - Ratio IC50 '=' 0 -
Q9N6S8 BXGT021120 Cysteine proteinase falcipain 2a unreviewed - IC50 '=' 20 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 7000 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '<' 50 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 13 %
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 79 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 4677 nM
O15439 BXGT004169 Multidrug resistance-associated protein 4 reviewed Transporter ABCC4 IC50 '=' 103900 nM
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 Ki '=' 5754 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 IC50 - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP IC50 '=' 12800 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki '=' 9120 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP FC '=' 1 -
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B Ki '=' 31622 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 12700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03950 Cinchona calisaya Cinchona calisaya 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