Detailed information for compound 1141291

Basic information

Technical information
  • TDR Targets ID: 1141291
  • Name: [6-(2-chlorophenoxy)pyridin-3-yl]-(4-propan-2 -ylpiperazin-1-yl)methanone
  • MW: 359.85 | Formula: C19H22ClN3O2
  • H donors: 0 H acceptors: 2 LogP: 3.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1CCN(CC1)C(=O)c1ccc(nc1)Oc1ccccc1Cl)C
  • InChi: 1S/C19H22ClN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-7-8-18(21-13-15)25-17-6-4-3-5-16(17)20/h3-8,13-14H,9-12H2,1-2H3
  • InChiKey: ZPSZTRJCIUSPSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [6-(2-chlorophenoxy)-3-pyridyl]-(4-isopropylpiperazin-1-yl)methanone
  • [6-(2-chlorophenoxy)-3-pyridyl]-(4-isopropyl-1-piperazinyl)methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Bromodomain containing protein 0.008 0.0832 0.245
Mycobacterium ulcerans beta-lactamase 0.0037 0.0277 0.4471
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0408 0.0398
Echinococcus multilocularis neuroligin 0.0046 0.0401 0.0392
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.2853 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0275 0.3365 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0321 0.5264
Onchocerca volvulus 0.0046 0.0401 0.2036
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1343 0.469
Echinococcus multilocularis acetylcholinesterase 0.0275 0.3365 0.3359
Toxoplasma gondii exonuclease III APE 0.004 0.0321 0.522
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0264 0.0758
Loa Loa (eye worm) hypothetical protein 0.0023 0.0097 0.0226
Brugia malayi hypothetical protein 0.0019 0.0047 0.011
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.029 0.475
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0607 0.994
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.001 0.0158
Echinococcus granulosus transcription factor eb 0.0105 0.1156 0.3418
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0097 0.146
Loa Loa (eye worm) carboxylesterase 0.0046 0.0401 0.1136
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0277 0.1443
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.029 0.0862
Loa Loa (eye worm) hypothetical protein 0.0079 0.0823 0.2397
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0023 0.004
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1343 0.469
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0277 0.682
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0249 0.3036 0.9014
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0277 0.4532
Brugia malayi Carboxylesterase family protein 0.0046 0.0401 0.1167
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0401 0.0392
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0097 0.0308
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0272 0.0262
Loa Loa (eye worm) hypothetical protein 0.0023 0.0097 0.0226
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0023 0.0013
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0277 0.4532
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.063 0.0621
Leishmania major DNA polymerase kappa, putative 0.0038 0.029 0.475
Echinococcus multilocularis transcription factor eb 0.0105 0.1156 0.1148
Loa Loa (eye worm) hypothetical protein 0.017 0.2011 0.5951
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0321 0.7962
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0493 0.1441
Trypanosoma brucei unspecified product 0.0026 0.0138 0.2252
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0095 0.0219
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0321 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0097 0.1586
Schistosoma mansoni ap endonuclease 0.004 0.0321 0.0955
Loa Loa (eye worm) hypothetical protein 0.0153 0.1788 0.5284
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0095 0.0219
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0763
Brugia malayi Carboxylesterase family protein 0.0046 0.0401 0.1167
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0277 0.094
Leishmania major hypothetical protein, conserved 0.0037 0.0277 0.4532
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0264 0.0784
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0277 0.4471
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.029 0.475
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0264 0.0784
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.0401 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.1613 0.478
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0388 0.1127
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0405 0.1179
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0264 0.0758
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0097 0.1586
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0097 0.146
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.1697 0.1689
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1188 0.4145
Echinococcus granulosus dna polymerase kappa 0.0038 0.029 0.0836
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0408 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.001 0.0158
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0095 0.1551
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0047 0.011
Trypanosoma brucei trypanothione reductase 0.0047 0.0408 0.6678
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0264 0.0254
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0095 0.1551
Loa Loa (eye worm) hypothetical protein 0.0023 0.0097 0.0226
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0095 0.0086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.0725
Loa Loa (eye worm) latrophilin receptor protein 2 0.0079 0.0823 0.2397
Schistosoma mansoni DNA polymerase eta 0.0063 0.0611 0.1814
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0607 0.178
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.029 0.475
Brugia malayi beta-lactamase 0.0037 0.0277 0.0796
Schistosoma mansoni gliotactin 0.0046 0.0401 0.1192
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0047 0.0037
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0302 0.7342
Schistosoma mansoni hypothetical protein 0.0079 0.0823 0.2445
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0264 0.0254
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0097 0.1586
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0047 0.0075
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0321 0.0929
Plasmodium falciparum glutathione reductase 0.0047 0.0408 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0401 0.6556
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0763
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0401 0.1192
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0277 0.094
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.001 0.0158
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Mycobacterium ulcerans hypothetical protein 0.0023 0.0097 0.146
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0023 0.0069
Loa Loa (eye worm) hypothetical protein 0.0039 0.0304 0.0844
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0264 0.0758
Echinococcus granulosus zinc finger protein 0.0023 0.0102 0.0275
Brugia malayi Doublecortin family protein 0.0019 0.0047 0.011
Leishmania major cytochrome p450-like protein 0.0023 0.0095 0.1551
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Loa Loa (eye worm) hypothetical protein 0.0229 0.2773 0.8231
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0023 0.0013
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.1697 0.5029
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0079 0.0823 0.0814
Trypanosoma brucei unspecified product 0.0026 0.0138 0.2252
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0264 0.4322
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.001 0.0158
Leishmania major DNA polymerase eta, putative 0.0036 0.0272 0.4449
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.2773 0.8237
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0408 0.1186
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0277 0.0822
Schistosoma mansoni lipoxygenase 0.0054 0.0493 0.1466
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0321 0.7831
Echinococcus multilocularis carboxylesterase 5A 0.0275 0.3365 0.3359
Onchocerca volvulus 0.0046 0.0401 0.2036
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.001 0.0158
Loa Loa (eye worm) hypothetical protein 0.0275 0.3365 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0104 0.115 0.3375
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.029 0.7161
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0321 0.1098
Trypanosoma brucei DNA polymerase eta, putative 0.0063 0.0611 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.007 0.0146
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0023 0.0069
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0077 0.0166
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.029 0.0862
Schistosoma mansoni hypothetical protein 0.0021 0.007 0.0209
Loa Loa (eye worm) hypothetical protein 0.0249 0.3036 0.9014
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0264 0.8156
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0097 0.0308
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0704 0.0695
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1188 0.4145
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.001 0.0158
Echinococcus multilocularis RUN 0.0019 0.0047 0.0037
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0079 0.0823 0.2423
Brugia malayi Bromodomain containing protein 0.0042 0.0349 0.101
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0321 0.0897
Toxoplasma gondii thioredoxin reductase 0.0047 0.0408 0.6665
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0277 0.094
Mycobacterium ulcerans lipase LipD 0.0037 0.0277 0.4471
Leishmania major DNA polymerase eta, putative 0.0063 0.0611 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0097 0.146
Loa Loa (eye worm) glutathione reductase 0.0047 0.0408 0.1155
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.029 0.475
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0607 0.1803
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0139
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Brugia malayi PHD-finger family protein 0.0029 0.0172 0.0485
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0607 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.1188 0.8756
Loa Loa (eye worm) hypothetical protein 0.0104 0.115 0.3375
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0379 0.6182
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Brugia malayi Thioredoxin reductase 0.0047 0.0408 0.1186
Entamoeba histolytica hypothetical protein 0.007 0.0704 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0277 0.682
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Mycobacterium ulcerans hypothetical protein 0.0037 0.0277 0.4471
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0763
Loa Loa (eye worm) hypothetical protein 0.0275 0.3365 1
Brugia malayi MH2 domain containing protein 0.0116 0.1301 0.3848
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0607 0.0598
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0704 0.2092
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1301 0.3826
Brugia malayi Latrophilin receptor protein 2 0.0079 0.0823 0.2423
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.029 0.3183
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0097 0.146
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0097 0.026
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.029 0.0836
Echinococcus multilocularis dna polymerase kappa 0.0038 0.029 0.0281
Echinococcus granulosus RUN 0.0019 0.0047 0.011
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0272 0.4449
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0379 0.11
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.001 0.0001
Brugia malayi beta-lactamase family protein 0.0037 0.0277 0.0796
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0321 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0277 0.0822
Trypanosoma cruzi DNA polymerase eta, putative 0.0063 0.0611 1
Brugia malayi Carboxylesterase family protein 0.0275 0.3365 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0095 0.1551
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0401 0.1192
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Echinococcus multilocularis zinc finger protein 0.0023 0.0102 0.0092
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0321 0.7831
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0264 0.6493
Brugia malayi glutathione reductase 0.0047 0.0408 0.1186
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0277 0.094
Schistosoma mansoni hypothetical protein 0.0079 0.0823 0.2445
Mycobacterium tuberculosis Conserved protein 0.0037 0.0277 0.094
Brugia malayi hypothetical protein 0.007 0.0704 0.2069
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0704 0.2069
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0097 0.026
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0264 0.2752
Schistosoma mansoni hypothetical protein 0.0168 0.1982 0.5889
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0408 0.1155
Leishmania major trypanothione reductase 0.0047 0.0408 0.6678
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.1697 0.5043
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0408 0.6678
Brugia malayi hypothetical protein 0.0153 0.1788 0.53
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.029 0.0803
Brugia malayi Cytochrome P450 family protein 0.0052 0.0475 0.1385
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.029 0.0987
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0097 0.146
Entamoeba histolytica hypothetical protein 0.007 0.0704 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0277 0.094
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0095 0.0219
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0005
Brugia malayi ImpB/MucB/SamB family protein 0.0063 0.0611 0.1791
Echinococcus granulosus GPCR family 2 0.0079 0.0823 0.2423
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0379 0.6182
Schistosoma mansoni lipoxygenase 0.0019 0.0047 0.0139
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0401 0.1192
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0095 0.0255
Echinococcus granulosus carboxylesterase 5A 0.0275 0.3365 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0388 0.1153
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0321 0.3699
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0401 0.1378
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0277 0.0796
Loa Loa (eye worm) hypothetical protein 0.0045 0.0381 0.1074
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0021 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0379 0.9274
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0249 0.3036 0.9018
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0264 0.0254
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0321 0.522
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0264 0.6493
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0021 0.0043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.029 0.475
Echinococcus granulosus acetylcholinesterase 0.0275 0.3365 1
Echinococcus multilocularis GPCR, family 2 0.0079 0.0823 0.0814
Onchocerca volvulus 0.0046 0.0401 0.2036
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0321 0.5264
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1188 0.4145
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0321 0.7962
Loa Loa (eye worm) carboxylesterase 0.0046 0.0401 0.1136
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.029 0.475
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.2773 0.2766
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.001 0.0158
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0021 0.0296
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0401 0.0392
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0321 0.0929
Entamoeba histolytica hypothetical protein 0.007 0.0704 1
Echinococcus granulosus geminin 0.0168 0.1982 0.5877
Loa Loa (eye worm) carboxylesterase 0.0275 0.3365 1
Brugia malayi Carboxylesterase family protein 0.0046 0.0401 0.1167
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0401 0.1167
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0277 0.094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0607 1
Onchocerca volvulus 0.0047 0.0405 0.206
Echinococcus granulosus dna polymerase eta 0.0063 0.0611 0.1791
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0272 0.0781
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0277 0.682
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.029 0.7161
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0277 0.682
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0097 0.026
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0408 0.1401
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0475 0.1355
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0401 0.1192
Schistosoma mansoni hypothetical protein 0.0168 0.1982 0.5889
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0021 0.0296
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.001 0.0158
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0277 0.682
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.2828 0.8395
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0321 0.5264
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0138 0.2252
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.029 0.0281
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0275 0.3365 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0277 0.094
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0321 0.5264
Plasmodium falciparum thioredoxin reductase 0.0047 0.0408 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0047 0.0037
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0023 0.004
Brugia malayi follicle stimulating hormone receptor 0.0233 0.2828 0.84
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0264 0.4322
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0264 0.4322
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0493 0.0484
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0379 0.9429
Loa Loa (eye worm) hypothetical protein 0.0046 0.0401 0.1136
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0277 0.4532
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0401 0.1192
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0277 0.6708
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.029 0.4695
Schistosoma mansoni survival motor neuron protein 0.0047 0.0405 0.1205
Onchocerca volvulus 0.0153 0.1788 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0388 0.0379
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0272 0.4387
Giardia lamblia DINP protein human, muc B family 0.0038 0.029 0.8994
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0277 0.0763
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0388 0.1153
Brugia malayi latrophilin 2 splice variant baaae 0.017 0.2011 0.5966
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0047 0.0037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0388 0.1153
Onchocerca volvulus 0.0037 0.0277 0.1321
Onchocerca volvulus 0.0046 0.0401 0.2036
Toxoplasma gondii ABC1 family protein 0.0037 0.0277 0.4471
Schistosoma mansoni rab6-interacting 0.0019 0.0047 0.0139
Schistosoma mansoni hypothetical protein 0.0079 0.0823 0.2445
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0075
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0079 0.0823 0.0814
Schistosoma mansoni hypothetical protein 0.0047 0.0405 0.1205
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0763
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0388 0.0379
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0264 0.0758
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.1188 0.4145
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.029 0.0836
Schistosoma mansoni zinc finger protein 0.0023 0.0102 0.0303
Loa Loa (eye worm) beta-lactamase 0.0037 0.0277 0.0763
Brugia malayi Cytochrome P450 family protein 0.0023 0.0095 0.0253
Plasmodium vivax glutathione reductase, putative 0.0047 0.0408 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1301 0.3826
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0321 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0095 0.0253
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0401 0.1378
Schistosoma mansoni hypothetical protein 0.017 0.2011 0.5977
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0277 0.0267
Onchocerca volvulus 0.0023 0.0097 0.0288
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0047 0.011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0079 0.0823 0.2423
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0302 0.9375
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0388 0.1096
Loa Loa (eye worm) hypothetical protein 0.0072 0.073 0.2118
Echinococcus granulosus acetylcholinesterase 0.0275 0.3365 1
Entamoeba histolytica hypothetical protein 0.007 0.0704 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0097 0.146
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.029 0.4695
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0023 0.0069
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0401 0.1378
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0095 0.1423
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0321 0.0312
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1188 0.4145
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.0401 1
Brugia malayi hypothetical protein 0.0046 0.0401 0.1167
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0277 0.0796
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0763
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0105 0.1156 0.3418
Brugia malayi hypothetical protein 0.0229 0.2773 0.8237
Brugia malayi Carboxylesterase family protein 0.0275 0.3365 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0075
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0023 0.0069
Brugia malayi Carboxylesterase family protein 0.0046 0.0401 0.1167
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0302 0.3378
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Echinococcus multilocularis dna polymerase eta 0.0063 0.0611 0.0601
Mycobacterium tuberculosis Conserved protein 0.0037 0.0277 0.094
Schistosoma mansoni rab6-interacting 0.0019 0.0047 0.0139
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0401 0.1167
Schistosoma mansoni loxhd1 0.0019 0.0047 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.029 0.475
Brugia malayi Calcitonin receptor-like protein seb-1 0.0249 0.3036 0.9018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0388 0.1127
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0607 1
Onchocerca volvulus 0.0046 0.0401 0.2036
Trichomonas vaginalis esterase, putative 0.0037 0.0277 0.682
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0401 0.0392
Brugia malayi hypothetical protein 0.0019 0.0047 0.011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0277 0.0763
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0138 0.2252
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0079 0.0823 0.2423
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0388 0.1127
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0379 0.9429
Schistosoma mansoni acetylcholinesterase 0.0046 0.0401 0.1192
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0047 0.011
Schistosoma mansoni hypothetical protein 0.007 0.0704 0.2092
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0401 0.1167
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0097 0.146
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.063 0.185
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0607 0.1803
Schistosoma mansoni ap endonuclease 0.004 0.0321 0.0955
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0277 0.094
Echinococcus granulosus neuroligin 0.0046 0.0401 0.1167
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.029 0.0987
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.1343 0.469
Schistosoma mansoni polycystin 1-related 0.0019 0.0047 0.0139
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0607 0.2101
Mycobacterium leprae Probable lipase LipE 0.0037 0.0277 0.1443
Loa Loa (eye worm) acetyltransferase 0.0146 0.1697 0.5011
Trypanosoma brucei unspecified product 0.0038 0.029 0.475
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.001 0.0158
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.001 0.0029
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.029 0.475
Echinococcus multilocularis acetylcholinesterase 0.0275 0.3365 0.3359
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.029 0.475
Loa Loa (eye worm) hypothetical protein 0.0063 0.0611 0.1762
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0047 0.093
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0264 0.6493
Onchocerca volvulus 0.0037 0.0277 0.1321
Schistosoma mansoni bromodomain containing protein 0.0068 0.0677 0.2013
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0607 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0277 0.4471
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0047 0.093
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1343 1
Schistosoma mansoni hypothetical protein 0.0079 0.0823 0.2445
Onchocerca volvulus 0.0037 0.0277 0.1321
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0095 0.0283
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0138 0.2252
Loa Loa (eye worm) hypothetical protein 0.0047 0.0406 0.115
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0021 0.0197
Echinococcus multilocularis geminin 0.0168 0.1982 0.1974
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.001 0.0158
Brugia malayi beta-lactamase family protein 0.0037 0.0277 0.0796
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0264 0.4322
Mycobacterium tuberculosis Probable reductase 0.0107 0.1188 0.4145

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 31 nM Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation counting ChEMBL. 20561786

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.