Detailed information for compound 23525

Basic information

Technical information
  • TDR Targets ID: 23525
  • Name: 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
  • MW: 294.391 | Formula: C19H22N2O
  • H donors: 1 H acceptors: 0 LogP: 3.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)NC1c2ccccc2Oc2c1cccc2
  • InChi: 1S/C19H22N2O/c1-21-12-10-14(11-13-21)20-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19-20H,10-13H2,1H3
  • InChiKey: OSLZCIUZOVHEDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-N-(9H-xanthen-9-yl)-4-piperidinamine
  • (1-methyl-4-piperidyl)-(9H-xanthen-9-yl)amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Onchocerca volvulus 0.0045 0.0426 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0045 0.0426 0.9824
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0819 0.1657
Entamoeba histolytica hypothetical protein 0.0036 0.0317 0.7293
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Leishmania major prostaglandin f synthase, putative 0.0045 0.0426 0.1487
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.006 0.5564
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0045 0.0426 0.1549
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1313 1
Echinococcus multilocularis heat shock protein 90 0.0013 0.0021 0.0021
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.023 0.2742 0.2742
Entamoeba histolytica aldose reductase, putative 0.0045 0.0426 1
Echinococcus multilocularis heat shock protein 0.0013 0.0021 0.0021
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0307 0.0307
Entamoeba histolytica hypothetical protein 0.0036 0.0317 0.7293
Schistosoma mansoni ap endonuclease 0.0018 0.009 0.0142
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0045 0.0426 0.3134
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0053 0.011
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0365 0.4428 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0045 0.0426 1
Schistosoma mansoni potassium channel beta 0.0045 0.0426 0.084
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0374 0.0773
Schistosoma mansoni cpg binding protein 0.003 0.023 0.0434
Trypanosoma brucei developmentally regulated phosphoprotein 0.023 0.2742 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0013 0.0021 0.0431
Onchocerca volvulus 0.0045 0.0426 1
Plasmodium falciparum heat shock protein 90 0.0013 0.0021 0.0431
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0434 0.0976
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0327 0.0634
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0211 0.0472
Mycobacterium leprae Possible oxidoreductase 0.0045 0.0426 0.3134
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.006 0.0212
Entamoeba histolytica hypothetical protein 0.0036 0.0317 0.7293
Echinococcus granulosus dnaJ subfamily B 0.0398 0.4837 1
Schistosoma mansoni hypothetical protein 0.0169 0.198 0.4067
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0327 0.0634
Loa Loa (eye worm) hypothetical protein 0.0033 0.0276 0.062
Schistosoma mansoni pyruvate dehydrogenase 0.0218 0.2581 0.5317
Trypanosoma brucei prostaglandin f synthase 0.0045 0.0426 0.1487
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0068 0.0097
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0066
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0327 0.0735
Onchocerca volvulus 0.0028 0.0211 0.4674
Loa Loa (eye worm) hypothetical protein 0.0051 0.0493 0.1109
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0053 0.0053
Echinococcus multilocularis aldo keto reductase 0.0045 0.0426 0.0426
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0317 0.0613
Plasmodium falciparum phd finger protein, putative 0.0029 0.0229 0.526
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.006 0.014
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0045 0.0426 0.1549
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1167 0.8872
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0229 0.526
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0053 0.0188
Schistosoma mansoni hypothetical protein 0.0033 0.0276 0.0528
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.1067 0.2207
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0081 0.0868 0.3113
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0045 0.0426 0.1487
Plasmodium vivax glutathione reductase, putative 0.0046 0.0434 1
Trypanosoma cruzi aldo-keto reductase 0.0045 0.0426 0.1487
Schistosoma mansoni aldo-keto reductase 0.0045 0.0426 0.084
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.006 0.006
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.006 0.1316
Brugia malayi NADH-dependent xylose reductase 0.0045 0.0426 0.1549
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0045 0.0426 0.1549
Schistosoma mansoni pyruvate dehydrogenase 0.023 0.2742 0.5649
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.0434 1
Onchocerca volvulus 0.0045 0.0426 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0081 0.0868 0.3113
Echinococcus multilocularis aldo keto reductase 0.0045 0.0426 0.0426
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0229 0.0432
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0049 0.0468 0.1053
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1313 1
Brugia malayi Probable DNA topoisomerase II 0.0013 0.0021 0.0073
Brugia malayi hypothetical protein 0.0036 0.0317 0.115
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0053 0.0188
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Plasmodium falciparum thioredoxin reductase 0.0016 0.006 0.1316
Schistosoma mansoni hypothetical protein 0.0029 0.0229 0.0432
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0013 0.0021 0.0431
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0045
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0066
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.006 0.014
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0045 0.0426 0.0918
Plasmodium falciparum glutathione reductase 0.0016 0.006 0.1316
Echinococcus multilocularis voltage gated potassium channel subunit 0.0045 0.0426 0.0426
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0013 0.0021 0.0073
Echinococcus granulosus hypothetical protein 0.0045 0.0426 0.0881
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.1067 0.1067
Trypanosoma brucei aldo-keto reductase, putative 0.0045 0.0426 0.1487
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0081 0.0868 0.3113
Plasmodium falciparum aldehyde reductase, putative 0.0045 0.0426 0.9824
Loa Loa (eye worm) glutathione reductase 0.0046 0.0434 0.0976
Echinococcus granulosus heat shock protein 0.0013 0.0021 0.0044
Leishmania major aldo-keto reductase-like protein 0.0045 0.0426 0.1487
Loa Loa (eye worm) hypothetical protein 0.0029 0.0229 0.0515
Brugia malayi CXXC zinc finger family protein 0.0028 0.0211 0.0763
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.023 0.2742 0.5669
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0327 0.0676
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.009 0.0323
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.006 0.0295
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.023 0.2742 0.2742
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0013 0.0021 0.0021
Brugia malayi PHD-finger family protein 0.0029 0.0229 0.0832
Schistosoma mansoni hypothetical protein 0.0398 0.4837 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0434 0.3192
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0045 0.0426 1
Loa Loa (eye worm) oxidoreductase 0.0045 0.0426 0.0959
Plasmodium falciparum glutathione reductase 0.0046 0.0434 1
Toxoplasma gondii exonuclease III APE 0.0018 0.009 0.0156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0053 0.011
Trypanosoma brucei aldo/keto reductase, putative 0.0045 0.0426 0.1487
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.009 0.1694
Onchocerca volvulus 0.0045 0.0426 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0045 0.0426 0.1487
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.006 0.1316
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0093 0.1028 0.2285
Entamoeba histolytica aldose reductase, putative 0.0045 0.0426 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.023 0.2742 1
Schistosoma mansoni cpg binding protein 0.0028 0.0211 0.0393
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.009 0.0252
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Trypanosoma cruzi aldo/keto reductase, putative 0.0045 0.0426 0.1487
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0622 0.1401
Mycobacterium tuberculosis Probable reductase 0.0104 0.1167 0.8872
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0013 0.0021 0.0073
Schistosoma mansoni hypothetical protein 0.0169 0.198 0.4067
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0045
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.006 0.0123
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Schistosoma mansoni pol-related 0.0045 0.0426 0.084
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0602 0.1206
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Echinococcus multilocularis GPCR, family 2 0.0015 0.0053 0.0053
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0317 0.0654
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0229 0.0229
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.4837 0.4837
Echinococcus multilocularis aldo keto reductase 0.0045 0.0426 0.0426
Echinococcus granulosus aldo keto reductase 0.0045 0.0426 0.0881
Trichomonas vaginalis aldo/keto reductase, putative 0.0045 0.0426 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0426 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.009 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0045 0.0426 1
Brugia malayi Thioredoxin reductase 0.0046 0.0434 0.1577
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.006 0.0942
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Toxoplasma gondii aldo-keto reductase 0.0045 0.0426 0.0918
Loa Loa (eye worm) hypothetical protein 0.023 0.2742 0.619
Loa Loa (eye worm) hypothetical protein 0.0365 0.4428 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0426 0.0959
Loa Loa (eye worm) oxidoreductase 0.0045 0.0426 0.0959
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.006 0.014
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.006 0.014
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0045 0.0426 0.1549
Brugia malayi Endoplasmin precursor 0.0013 0.0021 0.0073
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.009 0.0531
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.009 0.0252
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0066
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0053 0.0117
Echinococcus multilocularis peregrin 0.0029 0.0229 0.0229
Plasmodium vivax heat shock protein 86, putative 0.0013 0.0021 0.0431
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.006 0.1316
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0045 0.0426 0.1487
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0088 0.0317
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Loa Loa (eye worm) oxidoreductase 0.0045 0.0426 0.0959
Brugia malayi jmjC domain containing protein 0.0037 0.0327 0.1187
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0434 0.0434
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1167 0.8872
Mycobacterium ulcerans hypothetical protein 0.0045 0.0426 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.006 0.0942
Echinococcus multilocularis cpg binding protein 0.003 0.023 0.023
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0045 0.0426 0.0959
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0229 0.0472
Onchocerca volvulus 0.0045 0.0426 1
Giardia lamblia Aldose reductase 0.0045 0.0426 1
Brugia malayi Bromodomain containing protein 0.0029 0.0229 0.0832
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0081 0.0868 0.1922
Mycobacterium tuberculosis Probable oxidoreductase 0.0045 0.0426 0.3134
Echinococcus granulosus voltage gated potassium channel subunit 0.0045 0.0426 0.0881
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.006 0.5564
Onchocerca volvulus 0.0045 0.0426 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.006 0.0087
Entamoeba histolytica aldose reductase, putative 0.0045 0.0426 1
Mycobacterium ulcerans oxidoreductase 0.0045 0.0426 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0013 0.0021 0.0044
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0523 0.1138
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0229 0.0472
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1167 0.8872
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Plasmodium vivax DNA topoisomerase II, putative 0.0013 0.0021 0.0431
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.006 0.014
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0045 0.0426 0.0881
Echinococcus granulosus aldo keto reductase 0.0045 0.0426 0.0881
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0468 0.1701
Loa Loa (eye worm) oxidoreductase 0.0045 0.0426 0.0959
Echinococcus granulosus heat shock protein 90 0.0013 0.0021 0.0044
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0317 0.0317
Loa Loa (eye worm) endoplasmin 0.0013 0.0021 0.0045
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Loa Loa (eye worm) oxidoreductase 0.0045 0.0426 0.0959
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.009 0.1694
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0066
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0434 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Giardia lamblia Aldose reductase 0.0045 0.0426 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.006 0.014
Echinococcus granulosus geminin 0.0169 0.198 0.4093
Mycobacterium tuberculosis Conserved protein 0.0045 0.0426 0.3134
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0045 0.0426 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0045 0.0426 0.0918
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.006 0.0079
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1313 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.006 0.0942
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.009 0.1694
Echinococcus multilocularis geminin 0.0169 0.198 0.198
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.006 0.0942
Loa Loa (eye worm) heat shock protein 90 0.0013 0.0021 0.0045
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0053 0.0053
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0007 0.002
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0045 0.0426 1
Echinococcus granulosus GPCR family 2 0.0015 0.0053 0.011
Plasmodium vivax hypothetical protein, conserved 0.0013 0.0021 0.0431
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.006 0.014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.006 0.014
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.006 0.0942
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0276 0.1001
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0434 0.1515
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1167 0.8872
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Brugia malayi kinase, mitochondrial precursor 0.023 0.2742 1
Toxoplasma gondii hypothetical protein 0.0365 0.4428 1
Schistosoma mansoni aldo-keto reductase 0.0045 0.0426 0.084
Toxoplasma gondii thioredoxin reductase 0.0046 0.0434 0.0935
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0468 0.1701
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.009 0.0252
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.009 0.0252
Echinococcus granulosus peregrin 0.0029 0.0229 0.0474
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.009 0.2022
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0045 0.0426 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.009 0.1694
Brugia malayi heat shock protein 90 0.0013 0.0021 0.0073
Leishmania major trypanothione reductase 0.0046 0.0434 0.1515
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1313 1
Schistosoma mansoni ap endonuclease 0.0018 0.009 0.0142
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0045 0.0426 0.1487
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.006 0.014
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0434 0.0897
Entamoeba histolytica alcohol dehydrogenase, putative 0.0045 0.0426 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.009 0.009
Trypanosoma brucei trypanothione reductase 0.0046 0.0434 0.1515
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.009 1
Plasmodium vivax endoplasmin, putative 0.0013 0.0021 0.0431
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0468 0.1053
Loa Loa (eye worm) TOPoisomerase family member 0.0013 0.0021 0.0045
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.006 0.0087
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.023 0.2742 1
Loa Loa (eye worm) hypothetical protein 0.0365 0.4428 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Brugia malayi glutathione reductase 0.0046 0.0434 0.1577
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0229 0.0474
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.009 0.1694
Entamoeba histolytica hypothetical protein 0.0036 0.0317 0.7293
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0045 0.0426 0.1549
Trichomonas vaginalis aldo/keto reductase, putative 0.0045 0.0426 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Plasmodium vivax aldehyde reductase, putative 0.0045 0.0426 0.9824
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.009 0.0186
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.009 0.02
Onchocerca volvulus 0.0045 0.0426 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Giardia lamblia PHD finger protein 15 0.0029 0.0229 0.5141
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1167 0.8872
Brugia malayi jmjC domain containing protein 0.0096 0.1067 0.3889
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.0117
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.006 0.014
Echinococcus granulosus cpg binding protein 0.003 0.023 0.0477
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0229 0.0515
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Echinococcus multilocularis aldo keto reductase 0.0045 0.0426 0.0426
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0374 0.0374
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0007 0.002
Onchocerca volvulus Alhambra homolog 0.0029 0.0229 0.5141
Loa Loa (eye worm) hypothetical protein 0.0365 0.4428 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1167 0.8872
Toxoplasma gondii aldose reductase, putative 0.0045 0.0426 0.0918
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.006 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0045 0.0426 0.0426
Schistosoma mansoni hypothetical protein 0.0036 0.0317 0.0613
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.009 0.2022
Plasmodium falciparum DNA topoisomerase 2 0.0013 0.0021 0.0431
Treponema pallidum NADH oxidase 0.0016 0.006 0.5564
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.006 0.1316
Schistosoma mansoni cpg binding protein 0.003 0.023 0.0434
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.006 0.0942
Schistosoma mansoni pyruvate dehydrogenase 0.0218 0.2581 0.5317
Trichomonas vaginalis aldo-keto reductase, putative 0.0045 0.0426 1
Plasmodium falciparum DNA gyrase subunit B 0.0013 0.0021 0.0431
Plasmodium falciparum aldo-keto reductase, putative 0.0045 0.0426 0.9824
Echinococcus granulosus aldo keto reductase 0.0045 0.0426 0.0881
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0045 0.0426 0.0881
Plasmodium falciparum endoplasmin, putative 0.0013 0.0021 0.0431

Activities

Activity type Activity value Assay description Source Reference
Delta pH (functional) = 6.4 Gastric antisecretory activity in pylorus-ligated rat at a concentration of 50 mg/kg perorally, expressed as increase in mean pH. ChEMBL. 6887196
Delta TAO (functional) = 99 Gastric antisecretory activity in pylorus ligated rat at a concentration of 50 mg/kg perorally, expressed as % decrease in mean titratable acid output of gastric juice in treated vs. control groups. ChEMBL. 6887196

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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