Detailed information for compound 1782241

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.39 | Formula: C16H26N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(n1)C)O[C@H]([C@H]1CNCC1)CC(C)C
  • InChi: 1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15+/m1/s1
  • InChiKey: SNNRWIBSGBMYRF-HIFRSBDPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 2 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 3 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) solute carrier family 6 member 4 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 ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Schistosoma mansoni sodium/chloride dependent transporter 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
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
Loa Loa (eye worm) norepinephrine 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 mansoni norepinephrine/norepinephrine transporter 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
Schistosoma japonicum Sodium-dependent noradrenaline 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 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) 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
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 3 620 aa 579 aa 33.2 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 2 617 aa 638 aa 32.5 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0871 0.6427 1
Plasmodium falciparum glutathione reductase 0.005 0.0249 0.3275
Onchocerca volvulus 0.0062 0.0338 0.0946
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0249 0.1458
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0062 0.0338 0.0793
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0062 0.0338 0.0338
Brugia malayi Cytochrome P450 family protein 0.004 0.0174 0.027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0159 0.0159
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0099 0.0099
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.008 0.0124
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0099 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0099 0.0154
Loa Loa (eye worm) hypothetical protein 0.0288 0.204 0.3174
Schistosoma mansoni serine/threonine protein kinase 0.029 0.2057 0.2057
Echinococcus multilocularis calcium activated potassium channel 0.029 0.2057 0.483
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0099 0.0154
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0099 0.0233
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.0583 0.4258 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Echinococcus granulosus calcium activated potassium channel 0.029 0.2057 0.4772
Loa Loa (eye worm) hypothetical protein 0.0037 0.015 0.0234
Treponema pallidum sodium- and chloride- dependent transporter 0.0365 0.262 1
Plasmodium falciparum plasmepsin VI 0.0118 0.0757 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0002 0.0143
Schistosoma mansoni sodium/chloride dependent transporter 0.0062 0.0338 0.0338
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0159 0.6383
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0589 0.431 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0033 0.0119 0.0279
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Echinococcus granulosus defective proboscis extension response 0.0033 0.0119 0.0276
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0099 0.0099
Brugia malayi hypothetical protein 0.0081 0.0482 0.075
Schistosoma mansoni serine/threonine protein kinase 0.029 0.2057 0.2057
Schistosoma mansoni serine/threonine kinase 0.0883 0.6521 0.6521
Onchocerca volvulus 0.0038 0.0159 0.0237
Onchocerca volvulus 0.0038 0.0159 0.0237
Loa Loa (eye worm) haspin protein kinase 0.0072 0.0416 0.0648
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0002 0.0091
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Brugia malayi aspartic protease BmAsp-2, identical 0.0081 0.0482 0.075
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0099 0.0154
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.083 0.4852
Echinococcus multilocularis sodium and chloride dependent glycine 0.0062 0.0338 0.0793
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0159 0.0248
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.0526
Schistosoma mansoni sodium/chloride dependent transporter 0.0365 0.262 0.262
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0062 0.0338 0.0784
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.0734 0.4289
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0062 0.0338 0.0338
Trichomonas vaginalis esterase, putative 0.0038 0.0159 0.0244
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.083 0.4852
Schistosoma mansoni nephrin 0.0037 0.015 0.015
Brugia malayi Kinase associated domain 1 family protein 0.0288 0.204 0.3174
Schistosoma mansoni serine/threonine protein kinase 0.029 0.2057 0.2057
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0002 0.0091
Echinococcus multilocularis roundabout 2 0.0037 0.015 0.0353
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0249 0.0578
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0002 0.5
Brugia malayi beta-lactamase family protein 0.0038 0.0159 0.0248
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0099 0.0099
Loa Loa (eye worm) CYP4Cod1 0.0028 0.008 0.0124
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0159 0.093
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0002 0.0005
Echinococcus granulosus serine:threonine protein kinase haspin 0.0072 0.0416 0.0966
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0099 0.0099
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0099 0.0233
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0159 0.093
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0174 0.027
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0062 0.0338 0.0793
Echinococcus granulosus serine:threonine protein kinase haspin 0.0072 0.0416 0.0966
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0118 0.0757 1
Brugia malayi Pepsin A precursor 0.0081 0.0482 0.075
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0099 0.0154
Schistosoma mansoni nuclear hormone receptor 0.003 0.0099 0.0099
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0033 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0099 0.0154
Plasmodium falciparum thioredoxin reductase 0.005 0.0249 0.3275
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Toxoplasma gondii hypothetical protein 0.0062 0.0338 0.4465
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Loa Loa (eye worm) solute carrier family 6 member 4 0.0365 0.262 0.4076
Plasmodium vivax amine transporter, putative 0.0062 0.0338 0.4448
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0062 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0099 0.0233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0159 0.0159
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0099 0.0154
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0002 0.0091
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.0583 0.4258 0.9881
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0099 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0099 0.0154
Brugia malayi Cytochrome P450 family protein 0.0028 0.008 0.0124
Loa Loa (eye worm) hypothetical protein 0.0038 0.0159 0.0248
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0099 0.023
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0159 0.0244
Echinococcus granulosus serine:threonine protein kinase haspin 0.0072 0.0416 0.0966
Plasmodium vivax aspartyl protease, putative 0.0081 0.0482 0.636
Plasmodium falciparum plasmepsin X 0.0081 0.0482 0.636
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0118 0.0757 0.1777
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.171 1
Brugia malayi Fibronectin type III domain containing protein 0.0033 0.0119 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0099 0.0154
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0002 0.0091
Echinococcus granulosus Immunoglobulin 0.0033 0.0119 0.0276
Toxoplasma gondii aspartyl protease 0.0081 0.0482 0.6371
Plasmodium falciparum plasmepsin I 0.0118 0.0757 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.0526
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0119 0.0185
Brugia malayi steroid hormone receptor 0.003 0.0099 0.0154
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0062 0.0338 0.0338
Brugia malayi nuclear receptor NHR-88 0.003 0.0099 0.0154
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.0734 0.4289
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0099 0.0233
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0338 0.4448
Plasmodium vivax aspartyl protease, putative 0.0081 0.0482 0.636
Brugia malayi hypothetical protein 0.0062 0.0338 0.0526
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Onchocerca volvulus 0.0365 0.262 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.4465
Loa Loa (eye worm) hypothetical protein 0.0038 0.0159 0.0248
Brugia malayi hypothetical protein 0.0081 0.0482 0.075
Mycobacterium ulcerans beta-lactamase 0.0038 0.0159 1
Plasmodium falciparum plasmepsin VII 0.0081 0.0482 0.636
Loa Loa (eye worm) hypothetical protein 0.0037 0.015 0.0234
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0159 0.0244
Echinococcus multilocularis hypothetical protein 0.0288 0.204 0.4791
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0159 0.093
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0002 0.0005
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.4465
Trypanosoma brucei cytochrome P450, putative 0.0028 0.008 0.3196
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0159 0.093
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0081 0.0482 0.075
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0099 0.023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0099 0.0154
Brugia malayi beta-lactamase 0.0038 0.0159 0.0248
Trypanosoma brucei trypanothione reductase 0.005 0.0249 1
Schistosoma mansoni vesicular amine transporter 0.0033 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0099 0.0154
Brugia malayi nuclear hormone receptor 0.003 0.0099 0.0154
Plasmodium vivax glutathione reductase, putative 0.005 0.0249 0.3275
Schistosoma mansoni coup transcription factor 0.003 0.0099 0.0099
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0002 0.0013
Onchocerca volvulus 0.0081 0.0482 0.1519
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0871 0.6427 1
Echinococcus granulosus serotonin transporter 0.0365 0.262 0.6079
Loa Loa (eye worm) aspartyl protease 6 0.0081 0.0482 0.075
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0062 0.0338 0.0784
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0099 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0099 0.0154
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0099 0.023
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0159 0.2079
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0062 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0081 0.0482 0.075
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0159 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.008 0.3196
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0033 0.0119 0.0276
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0099 0.0154
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.0734 0.884
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0002 0.0143
Mycobacterium ulcerans lipase LipD 0.0038 0.0159 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0249 0.0388
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0099 0.0099
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.0826 0.1285
Schistosoma mansoni serine/threonine protein kinase 0.029 0.2057 0.2057
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0002 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0002 0.0091
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Loa Loa (eye worm) haspin protein kinase 0.0072 0.0416 0.0648
Echinococcus granulosus serine:threonine protein kinase MARK2 0.029 0.2057 0.4772
Plasmodium falciparum plasmepsin IX 0.0081 0.0482 0.636
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0072 0.0416 0.0977
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0159 0.093
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Brugia malayi aspartic protease BmAsp-1, identical 0.0081 0.0482 0.075
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0365 0.262 0.4076
Brugia malayi hypothetical protein 0.0033 0.0119 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0099 0.0154
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0099 0.0099
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.083 0.4852
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0118 0.0757 0.0757
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0118 0.0757 0.1756
Toxoplasma gondii ABC1 family protein 0.0038 0.0159 0.2103
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0099 0.0233
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0099 0.0099
Trichomonas vaginalis CAMK family protein kinase 0.0583 0.4258 0.6624
Brugia malayi Protein kinase domain containing protein 0.0871 0.6427 1
Schistosoma mansoni hypothetical protein 0.0072 0.0416 0.0416
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.008 0.0124
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0099 0.0233
Brugia malayi hypothetical protein 0.0072 0.0416 0.0648
Brugia malayi Immunoglobulin I-set domain containing protein 0.0037 0.0152 0.0237
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0099 0.0233
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.4465
Loa Loa (eye worm) hypothetical protein 0.0365 0.262 0.4076
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0002 0.003
Echinococcus granulosus sodium and chloride dependent glycine 0.0062 0.0338 0.0784
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0159 0.0248
Loa Loa (eye worm) norepinephrine transporter 0.0365 0.262 0.4076
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0159 0.0244
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0062 0.0338 0.0784
Trichomonas vaginalis CAMK family protein kinase 0.0583 0.4258 0.6624
Plasmodium falciparum plasmepsin IV 0.0118 0.0757 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0099 0.023
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Loa Loa (eye worm) hypothetical protein 0.0365 0.262 0.4076
Schistosoma mansoni sodium/chloride dependent transporter 0.0064 0.0354 0.0354
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Loa Loa (eye worm) serotonin transporter b 0.0365 0.262 0.4076
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0002 0.0002
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0159 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0159 0.0374
Echinococcus multilocularis neuroglian 0.0037 0.015 0.0353
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.0526
Plasmodium falciparum plasmepsin II 0.0118 0.0757 1
Schistosoma mansoni cathepsin D (A01 family) 0.0211 0.1457 0.1457
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0099 0.0154
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0118 0.0757 0.1174
Brugia malayi MH2 domain containing protein 0.0127 0.0826 0.1285
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Mycobacterium tuberculosis Probable reductase 0.0115 0.0734 0.4289
Plasmodium falciparum plasmepsin VIII, putative 0.0081 0.0482 0.636
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0159 0.6383
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0081 0.0482 0.6371
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0159 0.093
Echinococcus multilocularis Immunoglobulin 0.0033 0.0119 0.0279
Schistosoma mansoni hypothetical protein 0.0288 0.204 0.204
Onchocerca volvulus 0.0062 0.0338 0.0946
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0099 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0159 0.6383
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0099 0.023
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.008 0.5007
Loa Loa (eye worm) hypothetical protein 0.0038 0.0159 0.0248
Schistosoma mansoni thyroid hormone receptor 0.003 0.0099 0.0099
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0033 0.0119 0.0119
Echinococcus granulosus neuroglian 0.0037 0.015 0.0349
Onchocerca volvulus 0.0062 0.0338 0.0946
Brugia malayi Cytochrome P450 family protein 0.0028 0.008 0.0124
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0159 0.0244
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Loa Loa (eye worm) hypothetical protein 0.0365 0.262 0.4076
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.029 0.2057 0.483
Brugia malayi GSG2 0.0072 0.0416 0.0648
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Plasmodium vivax aspartyl proteinase, putative 0.0081 0.0482 0.636
Toxoplasma gondii hypothetical protein 0.0062 0.0338 0.4465
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0118 0.0757 0.1177
Loa Loa (eye worm) hypothetical protein 0.0038 0.0159 0.0248
Loa Loa (eye worm) hypothetical protein 0.0081 0.0482 0.075
Brugia malayi Eukaryotic aspartyl protease family protein 0.0081 0.0482 0.075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Echinococcus granulosus roundabout 2 0.0037 0.015 0.0349
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.0734 0.4289
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.083 1
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0099 0.0154
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Brugia malayi ecdysteroid receptor 0.003 0.0099 0.0154
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0002 0.0091
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0002 0.0004
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0037 0.0152 0.0237
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0062 0.0338 0.0793
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0249 0.0585
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0099 0.0154
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0249 1
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0099 0.0233
Plasmodium falciparum plasmepsin III 0.0081 0.0482 0.636
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0002 0.0091
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0002 0.003
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0099 0.0154
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0099 0.0154
Plasmodium falciparum transporter, putative 0.0062 0.0338 0.4448
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0159 0.093
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0002 0.0091
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0099 0.023
Loa Loa (eye worm) haspin protein kinase 0.0075 0.0433 0.0673
Plasmodium falciparum amino acid transporter, putative 0.0062 0.0338 0.4448
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0099 0.0154
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0249 0.3275
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Loa Loa (eye worm) beta-lactamase 0.0038 0.0159 0.0248
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0099 0.0154
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0062 0.0338 0.0784
Leishmania major cytochrome p450-like protein 0.0028 0.008 0.3196
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0159 0.0244
Loa Loa (eye worm) glutathione reductase 0.005 0.0249 0.0388
Mycobacterium tuberculosis Conserved protein 0.0038 0.0159 0.093
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0002 0.0091
Echinococcus granulosus serine:threonine protein kinase MARK2 0.029 0.2057 0.4772
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Mycobacterium tuberculosis Conserved protein 0.0038 0.0159 0.093
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0002 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0062 0.0338 0.0338
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0159 0.1918
Brugia malayi Thioredoxin reductase 0.005 0.0249 0.0388
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0002 0.0091
Echinococcus granulosus FTZ F1 alpha 0.003 0.0099 0.023
Leishmania major trypanothione reductase 0.005 0.0249 1
Schistosoma mansoni cell adhesion molecule 0.0033 0.0119 0.0119
Brugia malayi glutathione reductase 0.005 0.0249 0.0388
Schistosoma mansoni thyroid hormone receptor 0.003 0.0099 0.0099
Echinococcus multilocularis sodium and chloride dependent glycine 0.0062 0.0338 0.0793
Plasmodium vivax plasmepsin IV, putative 0.0118 0.0757 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0062 0.0338 0.0784
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0099 0.023
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0062 0.0338 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0099 0.0154
Loa Loa (eye worm) hypothetical protein 0.0033 0.0119 0.0185
Schistosoma mansoni hypothetical protein 0.0288 0.204 0.204
Leishmania major hypothetical protein, conserved 0.0038 0.0159 0.6383
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.0734 0.4289
Schistosoma mansoni sodium-dependent amino acid transporter 0.0062 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0038 0.0159 0.0248
Echinococcus granulosus twitchin 0.0039 0.0167 0.0387
Plasmodium falciparum plasmepsin V 0.0081 0.0482 0.636
Mycobacterium leprae Probable lipase LipE 0.0038 0.0159 0.1918
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.0734 0.4289
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.0826 0.1285
Loa Loa (eye worm) hypothetical protein 0.0038 0.0159 0.0248
Plasmodium vivax plasmepsin V, putative 0.0081 0.0482 0.636
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0072 0.0416 0.0977
Brugia malayi beta-lactamase family protein 0.0038 0.0159 0.0248
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0062 0.0338 0.0526
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.029 0.2057 0.483
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0062 0.0338 0.0338
Schistosoma mansoni cathepsin D (A01 family) 0.0211 0.1457 0.1457
Mycobacterium tuberculosis Conserved protein 0.0038 0.0159 0.093
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0062 0.0338 1
Schistosoma mansoni serine/threonine protein kinase 0.029 0.2057 0.2057
Mycobacterium ulcerans hypothetical protein 0.0038 0.0159 1
Plasmodium vivax aspartyl proteinase, putative 0.0118 0.0757 1
Echinococcus multilocularis serotonin transporter 0.0365 0.262 0.6152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0099 0.0154
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0002 0.0143
Toxoplasma gondii thioredoxin reductase 0.005 0.0249 0.3295
Toxoplasma gondii aspartyl protease ASP1 0.0118 0.0757 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0757 0.1177
Onchocerca volvulus 0.0038 0.0159 0.0237
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0154
Toxoplasma gondii aspartyl protease ASP3 0.0081 0.0482 0.6371
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0081 0.0482 0.0482
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0159 0.0369
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.008 0.3196
Loa Loa (eye worm) hypothetical protein 0.0062 0.0338 0.0526
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0365 0.262 0.262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0099 0.0154
Onchocerca volvulus 0.0081 0.0482 0.1519
Plasmodium vivax aspartyl protease, putative 0.0081 0.0482 0.636
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0062 0.0338 0.0338
Echinococcus multilocularis Immunoglobulin 0.0033 0.0119 0.0279

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.84 nM Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis ChEMBL. 24900709
Ki (binding) = 438 nM Displacement of [3H]Nisoxetine from human NET transfected in HEK293 cells after 3 hrs by Wallac counting analysis ChEMBL. 24900709
Ki (binding) > 890 nM Displacement of [3H]WIN35428 from human DAT transfected in HEK293 cells after 3 hrs by Wallac counting analysis ChEMBL. 24900709

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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