Detailed information for compound 304376

Basic information

Technical information
  • TDR Targets ID: 304376
  • Name: N-benzhydryl-2-[1-[(3,4-difluorophenyl)methyl ]piperidin-4-yl]ethanamine
  • MW: 420.537 | Formula: C27H30F2N2
  • H donors: 1 H acceptors: 0 LogP: 5.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1F)CN1CCC(CC1)CCNC(c1ccccc1)c1ccccc1
  • InChi: 1S/C27H30F2N2/c28-25-12-11-22(19-26(25)29)20-31-17-14-21(15-18-31)13-16-30-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27,30H,13-18,20H2
  • InChiKey: YRINJANLFJZAOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-benzhydryl-2-[1-[(3,4-difluorophenyl)methyl]-4-piperidyl]ethanamine
  • N-benzhydryl-2-[1-[(3,4-difluorophenyl)methyl]-4-piperidinyl]ethanamine
  • benzhydryl-[2-[1-(3,4-difluorobenzyl)-4-piperidyl]ethyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Norepinephrine transporter Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Transmembrane protein 120 homolog Norepinephrine transporter   597 aa 577 aa 34.0 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Norepinephrine transporter   597 aa 551 aa 47.4 %
Onchocerca volvulus Norepinephrine transporter   597 aa 570 aa 38.6 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Norepinephrine transporter   597 aa 549 aa 41.9 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 508 aa 32.7 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 529 aa 41.6 %
Loa Loa (eye worm) hypothetical protein Norepinephrine transporter   597 aa 551 aa 25.0 %
Brugia malayi Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 581 aa 34.6 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 579 aa 35.1 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Onchocerca volvulus Norepinephrine transporter   597 aa 540 aa 46.3 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Norepinephrine transporter   597 aa 513 aa 38.4 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.5 %
Plasmodium yoelii hypothetical protein Norepinephrine transporter   597 aa 478 aa 19.7 %
Onchocerca volvulus Norepinephrine transporter   597 aa 554 aa 38.6 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.0 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 522 aa 22.0 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Norepinephrine transporter   597 aa 569 aa 24.8 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 595 aa 34.0 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Norepinephrine transporter   597 aa 545 aa 41.7 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Norepinephrine transporter   597 aa 501 aa 39.7 %
Neospora caninum sodium-dependent transporter, putative Norepinephrine transporter   597 aa 507 aa 30.4 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative Norepinephrine transporter   597 aa 579 aa 22.1 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 534 aa 41.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 548 aa 24.8 %
Plasmodium vivax amine transporter, putative Norepinephrine transporter   597 aa 483 aa 21.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi trypanothione reductase, putative 0.0391 0.7116 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0274 0.0274
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0117 0.0588
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0117 0.0588
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0274 0.0385
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0135 0.1995 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0117 0.0588
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0135 0.1995 0.2803
Echinococcus granulosus neuropeptide receptor A26 0.0534 1 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Brugia malayi hypothetical protein 0.005 0.0274 0.0385
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0135 0.1995 0.2803
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0117 0.0588
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0274 0.0274
Brugia malayi Probable ClpP-like protease 0.009 0.1092 0.1535
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.1092 0.1535
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0135 0.1995 0.2803
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0135 0.1995 0.2803
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0687 0.0965
Echinococcus granulosus lysosomal alpha glucosidase 0.0188 0.3056 0.3056
Plasmodium vivax thioredoxin reductase, putative 0.0391 0.7116 1
Brugia malayi glutathione reductase 0.0391 0.7116 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.3056 0.3056
Plasmodium vivax glutathione reductase, putative 0.0391 0.7116 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0274 0.0274
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0135 0.1995 0.2803
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0097 0.0137
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0274 0.0385
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0468 0.0468
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0292 0.5138 0.722
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0135 0.1995 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0135 0.1995 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.1995 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0274 0.1372
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.1092 0.1535
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.5474
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0675 0.0948
Brugia malayi Glycosyl hydrolases family 31 protein 0.0188 0.3056 0.4295
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0117 0.0165
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0274 0.0385
Toxoplasma gondii hypothetical protein 0.005 0.0274 0.0385
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0117 0.0588
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.5138 0.722
Echinococcus multilocularis thioredoxin glutathione reductase 0.0391 0.7116 0.7116
Toxoplasma gondii hypothetical protein 0.005 0.0274 0.0385
Schistosoma mansoni jumonji domain containing protein 0.0088 0.1038 0.1458
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0117 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.1995 0.2803
Echinococcus granulosus serotonin transporter 0.0292 0.5138 0.5138
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0117 0.0588
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.5138 0.722
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0135 0.1995 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.0135 0.1995 1
Brugia malayi jmjC domain containing protein 0.0041 0.0097 0.0137
Onchocerca volvulus 0.0109 0.1464 0.2849
Leishmania major trypanothione reductase 0.0391 0.7116 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Schistosoma mansoni alpha glucosidase 0.0042 0.0117 0.0165
Onchocerca volvulus 0.005 0.0274 0.0533
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.0117 0.0588
Toxoplasma gondii thioredoxin reductase 0.0391 0.7116 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0274 0.0385
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0687 0.0965
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Brugia malayi Cytochrome P450 family protein 0.006 0.0492 0.0691
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0274 0.0274
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0687 0.0687
Trichomonas vaginalis mercuric reductase, putative 0.0135 0.1995 1
Trypanosoma brucei glucosidase, putative 0.0042 0.0117 0.0165
Schistosoma mansoni alpha-glucosidase 0.0162 0.253 0.3556
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.5138 0.722
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0097 0.0097
Echinococcus multilocularis neuropeptide receptor A26 0.0534 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0687 0.0965
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0468 0.0468
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.5138 0.722
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0117 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.5138 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0117 0.0588
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0135 0.1995 0.1995
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.0468 0.0657
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0687 0.0687
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0687 0.3443
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0274 0.0274
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0274 0.0385
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0117 0.0165
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0687 0.0965
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0135 0.1995 0.2803
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0117 0.0165
Loa Loa (eye worm) hypothetical protein 0.0292 0.5138 0.722
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.1535
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0117 0.0117
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0099 0.1274 0.179
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.3056 0.3056
Echinococcus granulosus jumonji domain containing protein 0.0047 0.022 0.022
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0687 0.0965
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0097 0.0097
Plasmodium falciparum glutathione reductase 0.0391 0.7116 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0274 0.0274
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0687 0.3443
Echinococcus multilocularis serotonin transporter 0.0292 0.5138 0.5138
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.1493 0.1493
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.0468 0.0657
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0135 0.1995 0.2803
Loa Loa (eye worm) glutathione reductase 0.0391 0.7116 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0117 0.0165
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0135 0.1995 0.2803
Schistosoma mansoni alpha-glucosidase 0.0162 0.253 0.3556
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Onchocerca volvulus 0.0292 0.5138 1
Loa Loa (eye worm) serotonin transporter b 0.0292 0.5138 0.722
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0274 0.0385
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0492 0.0691
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0135 0.1995 1
Plasmodium vivax hypothetical protein, conserved 0.005 0.0274 0.0385
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0135 0.1995 0.2803
Onchocerca volvulus 0.005 0.0274 0.0533
Plasmodium falciparum thioredoxin reductase 0.0391 0.7116 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.5474
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0117 0.0165
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0117 0.0588
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0274 0.0385
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0135 0.1995 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0135 0.1995 0.2803
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0274 0.0385
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.009 0.1092 0.1092
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0274 0.0274
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0391 0.7116 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.5138 0.722
Echinococcus granulosus thioredoxin glutathione reductase 0.0391 0.7116 0.7116
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0135 0.1995 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Trichomonas vaginalis glutathione reductase, putative 0.0135 0.1995 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.5474
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0274 0.0385
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0135 0.1995 0.2803
Echinococcus multilocularis neuropeptide s receptor 0.0534 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0188 0.3056 0.4295
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.009 0.1092 0.5474
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0135 0.1995 0.2803
Plasmodium falciparum amino acid transporter, putative 0.005 0.0274 0.0385
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0135 0.1995 1
Onchocerca volvulus 0.005 0.0274 0.0533
Trypanosoma cruzi trypanothione reductase, putative 0.0135 0.1995 0.2803
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0274 0.0274
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0097 0.0137
Plasmodium falciparum glutathione reductase 0.0135 0.1995 0.2803
Loa Loa (eye worm) hypothetical protein 0.009 0.1092 0.1535
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.1493 0.1493
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0274 0.0385
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.1995 0.2803
Schistosoma mansoni peptidase Clp (S14 family) 0.009 0.1092 0.1535
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0274 0.0385
Loa Loa (eye worm) hypothetical protein 0.005 0.0274 0.0385
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.5474
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.0468 0.2343
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.022 0.022
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0099 0.1274 0.179
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0274 0.0274
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0135 0.1995 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0687 0.3443
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0274 0.0385
Plasmodium falciparum thioredoxin reductase 0.0135 0.1995 0.2803
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0097 0.0137
Loa Loa (eye worm) hypothetical protein 0.0058 0.0438 0.0615
Plasmodium falciparum transporter, putative 0.005 0.0274 0.0385
Plasmodium vivax amine transporter, putative 0.005 0.0274 0.0385
Loa Loa (eye worm) hypothetical protein 0.0292 0.5138 0.722
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.009 0.1092 0.1535
Loa Loa (eye worm) thioredoxin reductase 0.0391 0.7116 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0274 0.0385
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0117 0.0117
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0117 0.0165
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0135 0.1995 0.1995
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0135 0.1995 0.2803
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.2126
Toxoplasma gondii NADPH-glutathione reductase 0.0135 0.1995 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0135 0.1995 0.2803
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.1092 0.5474
Brugia malayi jmjC domain containing protein 0.011 0.1493 0.2098
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.1995 0.2803
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.009 0.1092 0.1092
Trypanosoma brucei trypanothione reductase 0.0391 0.7116 1
Brugia malayi Thioredoxin reductase 0.0391 0.7116 1
Treponema pallidum NADH oxidase 0.0135 0.1995 0.3883

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7 nM In vitro binding affinity at dopamine transporter in rat striatum by [3H]- WIN 35,428 displacement. ChEMBL. 11300876
IC50 (binding) = 7 nM In vitro binding affinity at dopamine transporter in rat striatum by [3H]- WIN 35,428 displacement. ChEMBL. 11300876
IC50 (functional) = 10.7 nM Inhibition of dopamine reuptake ([3H]-DA uptake) in rat cytosol ChEMBL. 11300876
IC50 (binding) = 1027 nM Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand ChEMBL. 11300876
IC50 (binding) = 1027 nM Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand ChEMBL. 11300876
IC50 (binding) = 1590 nM In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement. ChEMBL. 11300876
IC50 (binding) = 1590 nM In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement. ChEMBL. 11300876
Ratio (binding) = 1.5 Ratio of ([3H]-DA uptake) / [3H]- WIN 35,428 binding was determined in rat cytosol ChEMBL. 11300876
Ratio (binding) = 1.5 Ratio of ([3H]-DA uptake) / [3H]- WIN 35,428 binding was determined in rat cytosol ChEMBL. 11300876
Ratio (binding) = 227 Selectivity for serotonin transporter compared to dopamine transporter. ChEMBL. 11300876

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.