Detailed information for compound 1489392

Basic information

Technical information
  • TDR Targets ID: 1489392
  • Name: [(1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-az abicyclo[3.2.1]octan-2-yl]-pyrrolidin-1-ylmet hanone
  • MW: 424.319 | Formula: C19H25IN2O
  • H donors: 0 H acceptors: 1 LogP: 3.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1ccc(cc1)[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)N1CCCC1)N2C
  • InChi: 1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
  • InChiKey: HPQILAIJSLHQQC-MLHJIOFPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-pyrrolidin-1-yl-methanone
  • [(1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1-pyrrolidinylmethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Norepinephrine transporter Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 3 Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 2 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 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) norepinephrine transporter 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
Treponema pallidum sodium- and 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
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
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) hypothetical protein 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
Echinococcus granulosus serotonin transporter 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 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
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing 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
Brugia malayi Sodium:neurotransmitter symporter family protein 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 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
Onchocerca volvulus 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 High affinity copper uptake protein 1 homolog Norepinephrine transporter   597 aa 551 aa 47.4 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 508 aa 32.7 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Norepinephrine transporter   597 aa 545 aa 41.7 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 579 aa 35.1 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Norepinephrine transporter   597 aa 513 aa 38.4 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Norepinephrine transporter   597 aa 569 aa 24.8 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Norepinephrine transporter   597 aa 501 aa 39.7 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.5 %
Brugia malayi Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 581 aa 34.6 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 2 617 aa 638 aa 32.5 %
Onchocerca volvulus Transmembrane protein 120 homolog Norepinephrine transporter   597 aa 577 aa 34.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 540 aa 46.3 %
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative Norepinephrine transporter   597 aa 579 aa 22.1 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 595 aa 34.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 554 aa 38.6 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Onchocerca volvulus Norepinephrine transporter   597 aa 548 aa 24.8 %
Neospora caninum sodium-dependent transporter, putative Norepinephrine transporter   597 aa 507 aa 30.4 %
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 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 522 aa 22.0 %
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 4 630 aa 574 aa 31.5 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Norepinephrine transporter   597 aa 549 aa 41.9 %
Onchocerca volvulus Norepinephrine transporter   597 aa 570 aa 38.6 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.0 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Plasmodium vivax amine transporter, putative Norepinephrine transporter   597 aa 483 aa 21.1 %
Plasmodium yoelii hypothetical protein Norepinephrine transporter   597 aa 478 aa 19.7 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 534 aa 41.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii hypothetical protein 0.0099 0.0607 0.3204
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.1682 1
Mycobacterium ulcerans lipase LipD 0.0039 0.0163 0.9553
Schistosoma mansoni carbonic anhydrase-related 0.0228 0.1548 0.1531
Mycobacterium ulcerans hypothetical protein 0.0039 0.0163 0.9553
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.005 0.0295
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.0043
Loa Loa (eye worm) beta-lactamase 0.0039 0.0163 0.0156
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.017 0.015
Echinococcus granulosus carbonic anhydrase 0.0228 0.1548 0.1531
Onchocerca volvulus 0.0099 0.0607 0.0587
Schistosoma mansoni hypothetical protein 0.0033 0.0123 0.0103
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.017 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0099 0.0607 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.1382 1 1
Loa Loa (eye worm) hypothetical protein 0.0584 0.4156 0.4152
Schistosoma mansoni vesicular acetylcholine transporter 0.1382 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.3204
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.005 0.2616
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Onchocerca volvulus 0.0099 0.0607 0.0587
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.0587
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Echinococcus granulosus sodium and chloride dependent glycine 0.0099 0.0607 0.0587
Loa Loa (eye worm) hypothetical protein 0.0033 0.0123 0.0117
Mycobacterium ulcerans beta-lactamase 0.0039 0.0163 0.9553
Schistosoma mansoni carbonic anhydrase-related 0.0228 0.1548 0.1531
Loa Loa (eye worm) carbonic anhydrase 3 0.0613 0.4371 0.4367
Trypanosoma brucei carbonic anhydrase-like protein 0.0613 0.4371 1
Plasmodium falciparum transporter, putative 0.0099 0.0607 0.3891
Loa Loa (eye worm) solute carrier family 6 member 4 0.0584 0.4156 0.4152
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0163 0.0967
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0163 0.0143
Brugia malayi AMP-binding enzyme family protein 0.0023 0.005 0.0029
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.017 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0007 0.0041
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0163 0.0967
Echinococcus multilocularis carbonic anhydrase II 0.0613 0.4371 0.4359
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Schistosoma mansoni hypothetical protein 0.0228 0.1548 0.1531
Brugia malayi AMP-binding enzyme family protein 0.0023 0.005 0.0029
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.002 0.0014
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0163 0.0967
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.002 0.0014
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.0587
Treponema pallidum sodium- and chloride- dependent transporter 0.0584 0.4156 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0163 0.0967
Schistosoma mansoni sodium/chloride dependent transporter 0.0584 0.4156 0.4144
Echinococcus granulosus carbonic anhydrase II 0.0613 0.4371 0.4359
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.005 0.2616
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0099 0.0607 0.0587
Loa Loa (eye worm) norepinephrine transporter 0.0584 0.4156 0.4152
Plasmodium falciparum carbonic anhydrase 0.0228 0.1548 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0163 0.0967
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.005 0.2616
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0099 0.0607 0.0587
Loa Loa (eye worm) hypothetical protein 0.0228 0.1548 0.1542
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Loa Loa (eye worm) hypothetical protein 0.0584 0.4156 0.4152
Schistosoma mansoni sodium/chloride dependent transporter 0.0099 0.0607 0.0587
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0613 0.4371 0.4359
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0236 0.0216
Onchocerca volvulus 0.0039 0.0163 0.0143
Loa Loa (eye worm) hypothetical protein 0.0228 0.1548 0.1542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.002 0.0014
Schistosoma mansoni carbonic anhydrase 0.0228 0.1548 0.1531
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0613 0.4371 0.4359
Echinococcus granulosus sodium and chloride dependent glycine 0.0099 0.0607 0.0587
Toxoplasma gondii hypothetical protein 0.0099 0.0607 0.3204
Echinococcus multilocularis carbonic anhydrase 0.0228 0.1548 0.1531
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0163 0.0156
Toxoplasma gondii hypothetical protein 0.0228 0.1548 1
Echinococcus granulosus carbonic anhydrase 0.0228 0.1548 0.1531
Onchocerca volvulus 0.0039 0.0163 0.0143
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0163 0.9553
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0156
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.002 0.0014
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0156
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0163 0.0143
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.002 0.0014
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0613 0.4371 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0584 0.4156 0.4144
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0163 0.0143
Plasmodium falciparum amino acid transporter, putative 0.0099 0.0607 0.3891
Echinococcus multilocularis carbonic anhydrase 0.0228 0.1548 0.1531
Leishmania major carbonic anhydrase-like protein 0.0613 0.4371 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.002 0.0014
Onchocerca volvulus 0.0039 0.0163 0.0143
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0613 0.4371 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0163 0.0967
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0613 0.4371 0.4359
Plasmodium vivax amine transporter, putative 0.0099 0.0607 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.017 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1382 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.005 0.0295
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0099 0.0607 0.0587
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0156
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0163 0.2599
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.0587
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0584 0.4156 0.4144
Schistosoma mansoni sodium-dependent amino acid transporter 0.0099 0.0607 0.0587
Brugia malayi beta-lactamase family protein 0.0039 0.0163 0.0143
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0156
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Mycobacterium tuberculosis Conserved protein 0.0039 0.0163 0.0967
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0228 0.1548 0.1542
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0236 0.0216
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0099 0.0607 0.0587
Echinococcus multilocularis sodium and chloride dependent glycine 0.0099 0.0607 0.0587
Loa Loa (eye worm) inositol-1 0.004 0.017 0.0163
Brugia malayi AMP-binding enzyme family protein 0.0023 0.005 0.0029
Onchocerca volvulus 0.0584 0.4156 0.4144
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.005 0.2616
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0228 0.1548 0.1531
Mycobacterium tuberculosis Conserved protein 0.0039 0.0163 0.0967
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0228 0.1548 0.1542
Loa Loa (eye worm) serotonin transporter b 0.0584 0.4156 0.4152
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0228 0.1548 0.1531
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.014 0.7966
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0099 0.0607 0.0587
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0613 0.4371 0.4359
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.0043
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0228 0.1548 0.1531
Echinococcus multilocularis carbonic anhydrase 0.0228 0.1548 0.1531
Loa Loa (eye worm) hypothetical protein 0.0048 0.0236 0.0229
Brugia malayi beta-lactamase 0.0039 0.0163 0.0143
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Onchocerca volvulus 0.0023 0.005 0.0029
Onchocerca volvulus 0.0099 0.0607 0.0587
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.3204
Echinococcus granulosus vesicular acetylcholine transporter 0.1382 1 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1382 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0099 0.0607 0.0587
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0099 0.0607 0.0587
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.017 0.0017
Echinococcus granulosus inositol monophosphatase 1 0.004 0.017 0.015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.002 0.0014
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.017 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.005 0.2616
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.017 0.0053
Schistosoma mansoni carbonic anhydrase-related 0.0228 0.1548 0.1531
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.005 0.2616
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.3204
Mycobacterium tuberculosis Conserved protein 0.0039 0.0163 0.0967
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0163 0.9553
Loa Loa (eye worm) hypothetical protein 0.0584 0.4156 0.4152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.002 0.0014
Mycobacterium ulcerans hypothetical protein 0.0023 0.005 0.2616
Brugia malayi Inositol-1 0.004 0.017 0.015
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Brugia malayi hypothetical protein 0.0099 0.0607 0.0587
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0163 0.0967
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.017 0.0279
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0123 0.0103
Leishmania major hypothetical protein, conserved 0.0039 0.0163 0.0262
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0163 0.0143
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.06
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.014 0.0831
Schistosoma mansoni inositol monophosphatase 0.004 0.017 0.015
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0099 0.0607 0.0587
Plasmodium vivax hypothetical protein, conserved 0.0099 0.0607 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.005 0.2616
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.0043
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0099 0.0607 0.06
Schistosoma mansoni inositol monophosphatase 0.004 0.017 0.015
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0228 0.1548 0.1531
Mycobacterium leprae Probable lipase LipE 0.0039 0.0163 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.017 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0236 0.0229
Loa Loa (eye worm) hypothetical protein 0.0099 0.0607 0.06
Echinococcus granulosus carbonic anhydrase 0.0228 0.1548 0.1531
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0163 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0099 0.0607 0.0587
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.017 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0156
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0099 0.0607 0.0587
Echinococcus multilocularis serotonin transporter 0.0584 0.4156 0.4144
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0156
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0613 0.4371 0.4367
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0163 0.0143
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0228 0.1548 0.1531
Brugia malayi beta-lactamase family protein 0.0039 0.0163 0.0143
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0014
Echinococcus granulosus serotonin transporter 0.0584 0.4156 0.4144
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.017 0.0017
Schistosoma mansoni sodium/chloride dependent transporter 0.0099 0.0607 0.0587

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.37 nM Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]-WIN- 35,428 binding ChEMBL. 7830281
IC50 (binding) = 0.37 nM Inhibition of [3H]-WIN- 35,428 binding at dopamine transporter was determined ChEMBL. 12723940
IC50 (binding) = 0.37 nM Inhibition of DAT ChEMBL. 21146989
IC50 (binding) = 990 nM Inhibition of [3H]-nisoxatine binding at norepinephrine transporter ChEMBL. 12723940
IC50 (binding) = 991 nM Binding affinity at the Norepinephrine transporter in rat frontal cortex by inhibition of 0.5 nM [3H]-nisoxatine binding ChEMBL. 7830281
IC50 (binding) = 991 nM Inhibition of SERT ChEMBL. 21146989
IC50 (binding) = 1728 nM Binding affinity at the Serotonin transporter in rat midbrain by inhibition of 0.5 nM [3H]-paroxetine binding ChEMBL. 7830281
IC50 (binding) = 1728 nM Inhibition of NET ChEMBL. 21146989
IC50 (binding) = 1730 nM Inhibition of [3H]-paroxetine binding at serotonin transporter was determined ChEMBL. 12723940
Ki (binding) = 157 nM Inhibition of [3H]-paroxetine binding at serotonin transporter was determined ChEMBL. 12723940
Ki (binding) = 596 nM Affinity for norepinephrine transporter determined by [3H]-nisoxatine displacement. ChEMBL. 12723940

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.