Detailed information for compound 1568734

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 558.282 | Formula: C18H32I2N4
  • H donors: 0 H acceptors: 0 LogP: 5.24 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[n+]1ccn(c1)CCCCCCCCCCn1cc[n+](c1)C.[I-].[I-]
  • InChi: 1S/C18H32N4.2HI/c1-19-13-15-21(17-19)11-9-7-5-3-4-6-8-10-12-22-16-14-20(2)18-22;;/h13-18H,3-12H2,1-2H3;2*1H/q+2;;/p-2
  • InChiKey: OTNJTTCKVSPQKL-UHFFFAOYSA-L  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis tyrosine protein kinase otk 0.00458017 0.0134814 0.0362721
Mycobacterium ulcerans monoamine oxidase 0.00846561 0.0441098 0.0390928
Mycobacterium ulcerans short chain dehydrogenase 0.0254197 0.177757 0.184881
Treponema pallidum sodium- and chloride- dependent transporter 0.0476543 0.35303 0.5
Echinococcus multilocularis lachesin 0.00458017 0.0134814 0.0362721
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Echinococcus granulosus roundabout 2 0.0140238 0.0879248 0.207606
Echinococcus multilocularis hemicentin 1 0.00458017 0.0134814 0.0362721
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0565961 0.423517 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.00473317 0.0146874 0.0146874
Echinococcus multilocularis roundabout 2 0.00458017 0.0134814 0.0362721
Onchocerca volvulus 0.00846561 0.0441098 0.0337433
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.00458017 0.0134814 0.0134814
Echinococcus granulosus twitchin 0.0116086 0.0688853 0.162651
Trypanosoma cruzi UDP-galactopyranose mutase 0.00846561 0.0441098 0.12004
Echinococcus multilocularis Immunoglobulin 0.00944367 0.0518198 0.139423
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Mycobacterium ulcerans protoporphyrinogen oxidase 0.00846561 0.0441098 0.0390928
Schistosoma mansoni sodium/chloride dependent transporter 0.00808947 0.0411448 0.0904565
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Brugia malayi Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.0411448
Brugia malayi Serotonin receptor 0.045438 0.335559 0.335559
Loa Loa (eye worm) hypothetical protein 0.00846561 0.0441098 0.0441098
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.00458017 0.0134814 0.0134814
Schistosoma mansoni roundabout 0.00458017 0.0134814 0.0143329
Onchocerca volvulus 0.00808947 0.0411448 0.0304767
Schistosoma mansoni titin 0.00458017 0.0134814 0.0143329
Echinococcus multilocularis 0.00846561 0.0441098 0.118679
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Echinococcus granulosus hemicentin 1 0.00458017 0.0134814 0.031832
Echinococcus granulosus Immunoglobulin 0.00944367 0.0518198 0.122356
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Mycobacterium tuberculosis Conserved protein 0.0500194 0.371674 0.40234
Loa Loa (eye worm) hypothetical protein 0.00944367 0.0518198 0.0518198
Toxoplasma gondii hypothetical protein 0.00808947 0.0411448 0.917263
Schistosoma mansoni tyrosine kinase 0.00543825 0.0202455 0.0329463
Mycobacterium ulcerans oxidoreductase 0.00846561 0.0441098 0.0390928
Brugia malayi Immunoglobulin I-set domain containing protein 0.129727 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.00808947 0.0411448 0.0971502
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.00808947 0.0411448 0.917263
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.00808947 0.0411448 0.110701
Brugia malayi SWIRM domain containing protein 0.00846561 0.0441098 0.0441098
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.00808947 0.0411448 0.0904565
Echinococcus granulosus defective proboscis extension response 0.00944367 0.0518198 0.122356
Schistosoma mansoni vesicular amine transporter 0.00944439 0.0518255 0.119847
Echinococcus multilocularis neuroglian 0.00458017 0.0134814 0.0362721
Schistosoma mansoni sodium/chloride dependent transporter 0.00824246 0.0423508 0.0937753
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0126552 0.0771361 0.0771361
Loa Loa (eye worm) serotonin transporter b 0.0476543 0.35303 0.35303
Schistosoma mansoni sphingosine kinase A B 0.0500194 0.371674 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.00944367 0.0518198 0.139423
Loa Loa (eye worm) uracil-DNA glycosylase 0.00391942 0.00827278 0.00827278
Toxoplasma gondii histone lysine-specific demethylase 0.00846561 0.0441098 1
Schistosoma mansoni nephrin 0.00458017 0.0134814 0.0143329
Echinococcus multilocularis Immunoglobulin 0.00944367 0.0518198 0.139423
Echinococcus granulosus roundabout 2 0.00458017 0.0134814 0.031832
Echinococcus multilocularis lysine specific histone demethylase 1A 0.00846561 0.0441098 0.118679
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.00846561 0.0441098 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Mycobacterium ulcerans hypothetical protein 0.0500194 0.371674 0.396415
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.00808947 0.0411448 0.0971502
Brugia malayi hypothetical protein 0.00808947 0.0411448 0.0411448
Schistosoma mansoni vesicular acetylcholine transporter 0.0126552 0.0771361 0.189497
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.00808947 0.0411448 0.0904565
Echinococcus granulosus lysine specific histone demethylase 1A 0.00846561 0.0441098 0.104151
Loa Loa (eye worm) hypothetical protein 0.0476543 0.35303 0.35303
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Plasmodium falciparum amino acid transporter, putative 0.00808947 0.0411448 0.917263
Plasmodium vivax amine transporter, putative 0.00808947 0.0411448 0.917263
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.00458017 0.0134814 0.0362721
Echinococcus multilocularis mitogen activated protein kinase 14 0.0417915 0.306814 0.825493
Brugia malayi P38 map kinase family protein 2 0.0417915 0.306814 0.306814
Echinococcus multilocularis mitogen activated protein kinase 14 0.0417915 0.306814 0.825493
Brugia malayi Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.0411448
Echinococcus granulosus neuroglian 0.00458017 0.0134814 0.031832
Loa Loa (eye worm) hypothetical protein 0.0140238 0.0879248 0.0879248
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0417915 0.306814 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0417915 0.306814 0.306814
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Loa Loa (eye worm) hypothetical protein 0.00846561 0.0441098 0.0441098
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0476543 0.35303 0.35303
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.00846561 0.0441098 1
Echinococcus multilocularis uracil DNA glycosylase 0.00391942 0.00827278 0.0222582
Echinococcus multilocularis roundabout 2 0.00458017 0.0134814 0.0362721
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.00458017 0.0134814 0.0134814
Echinococcus granulosus contactin 0.00458017 0.0134814 0.031832
Schistosoma mansoni sodium/chloride dependent transporter 0.0476543 0.35303 0.948697
Echinococcus granulosus sphingosine kinase 1 0.0500194 0.371674 0.877589
Echinococcus multilocularis sphingosine kinase 1 0.0500194 0.371674 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Onchocerca volvulus 0.00808947 0.0411448 0.0304767
Trichomonas vaginalis uracil DNA glycosylase, putative 0.00391942 0.00827278 0.5
Toxoplasma gondii hypothetical protein 0.00808947 0.0411448 0.917263
Echinococcus multilocularis peroxidasin 0.00458017 0.0134814 0.0362721
Plasmodium vivax hypothetical protein, conserved 0.00846561 0.0441098 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Brugia malayi hypothetical protein 0.00944367 0.0518198 0.0518198
Schistosoma mansoni sphingoid long chain base kinase 0.0500194 0.371674 1
Schistosoma mansoni septate junction protein 0.00458017 0.0134814 0.0143329
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.00944367 0.0518198 0.119832
Trypanosoma cruzi UDP-galactopyranose mutase 0.00846561 0.0441098 0.12004
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Onchocerca volvulus 0.0476543 0.35303 0.37408
Schistosoma mansoni Lysine-specific histone demethylase 1 0.00846561 0.0441098 0.0986157
Loa Loa (eye worm) hypothetical protein 0.00846561 0.0441098 0.0441098
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0417915 0.306814 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.00808947 0.0411448 0.0904565
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.00808947 0.0411448 0.0904565
Loa Loa (eye worm) hypothetical protein 0.00846561 0.0441098 0.0441098
Schistosoma mansoni cell adhesion molecule 0.00458017 0.0134814 0.0143329
Loa Loa (eye worm) hypothetical protein 0.0140238 0.0879248 0.0879248
Mycobacterium ulcerans dehydrogenase 0.00846561 0.0441098 0.0390928
Echinococcus multilocularis protoporphyrinogen oxidase 0.00846561 0.0441098 0.118679
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.00808947 0.0411448 0.110701
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0417915 0.306814 1
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.00458017 0.0134814 0.0362721
Echinococcus granulosus lachesin 0.00458017 0.0134814 0.031832
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Brugia malayi Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.0411448
Loa Loa (eye worm) hypothetical protein 0.0500194 0.371674 0.371674
Loa Loa (eye worm) hypothetical protein 0.00846561 0.0441098 0.0441098
Echinococcus granulosus uracil DNA glycosylase 0.00391942 0.00827278 0.0195335
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0476543 0.35303 0.948697
Echinococcus granulosus tyrosine protein kinase otk 0.00458017 0.0134814 0.031832
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.00846561 0.0441098 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.00846561 0.0441098 0.0986157
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Echinococcus multilocularis mitogen activated protein kinase 11 0.0417915 0.306814 0.825493
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.00846561 0.0441098 1
Leishmania major UDP-galactopyranose mutase 0.00846561 0.0441098 0.12004
Onchocerca volvulus 0.00808947 0.0411448 0.0304767
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.00458017 0.0134814 0.0362721
Echinococcus granulosus roundabout 2 0.00458017 0.0134814 0.031832
Loa Loa (eye worm) hypothetical protein 0.0476543 0.35303 0.35303
Echinococcus multilocularis hemicentin 1 0.00458017 0.0134814 0.0362721
Plasmodium falciparum protoporphyrinogen oxidase 0.00846561 0.0441098 1
Brugia malayi Peroxidasin 0.00458017 0.0134814 0.0134814
Plasmodium vivax protoporphyrinogen oxidase, putative 0.00846561 0.0441098 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0126552 0.0771361 0.0771361
Echinococcus multilocularis vesicular acetylcholine transporter 0.0126552 0.0771361 0.207537
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.0411448
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.00808947 0.0411448 0.0904565
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.00458017 0.0134814 0.0362721
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0126552 0.0771361 0.0701283
Chlamydia trachomatis protoporphyrinogen oxidase 0.00846561 0.0441098 1
Loa Loa (eye worm) hypothetical protein 0.00944367 0.0518198 0.0518198
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.120212 0.924991 1
Loa Loa (eye worm) hypothetical protein 0.00944367 0.0518198 0.0518198
Echinococcus multilocularis serotonin transporter 0.0476543 0.35303 0.949839
Plasmodium falciparum transporter, putative 0.00808947 0.0411448 0.917263
Echinococcus granulosus lysine specific histone demethylase 1A 0.00846561 0.0441098 0.104151
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.0411448
Entamoeba histolytica hypothetical protein, conserved 0.0500194 0.371674 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.00808947 0.0411448 0.110701
Echinococcus granulosus vesicular acetylcholine transporter 0.0126552 0.0771361 0.182132
Schistosoma mansoni cell adhesion molecule 0.00458017 0.0134814 0.0143329
Schistosoma mansoni cell adhesion molecule 0.012012 0.0720653 0.175543
Echinococcus multilocularis mitogen activated protein kinase 11 0.0417915 0.306814 0.825493
Schistosoma mansoni nephrin 0.0114556 0.0676793 0.163474
Schistosoma mansoni neuroglian 0.00458017 0.0134814 0.0143329
Loa Loa (eye worm) TK/KIN16 protein kinase 0.129727 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.00944367 0.0518198 0.0518198
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.00808947 0.0411448 0.0904565
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Schistosoma mansoni cell adhesion molecule 0.00458017 0.0134814 0.0143329
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.120212 0.924991 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.00808947 0.0411448 0.0971502
Loa Loa (eye worm) hypothetical protein 0.00944367 0.0518198 0.0518198
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.111746 0.858257 1
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.012012 0.0720653 0.170159
Echinococcus multilocularis neuroglian 0.0114556 0.0676793 0.182093
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.00458017 0.0134814 0.0143329
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.00846561 0.0441098 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0417915 0.306814 0.724444
Schistosoma mansoni amine oxidase 0.00846561 0.0441098 0.0986157
Loa Loa (eye worm) hypothetical protein 0.00944367 0.0518198 0.0518198
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.00458017 0.0134814 0.0143329
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.917263
Schistosoma mansoni septate junction protein 0.00458017 0.0134814 0.0143329
Brugia malayi hypothetical protein 0.00846561 0.0441098 0.0441098
Brugia malayi Uracil-DNA glycosylase 0.00391942 0.00827278 0.00827278
Schistosoma mansoni sodium-dependent amino acid transporter 0.00808947 0.0411448 0.0904565
Brugia malayi Fibronectin type III domain containing protein 0.00944367 0.0518198 0.0518198
Loa Loa (eye worm) hypothetical protein 0.00458017 0.0134814 0.0134814
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0417915 0.306814 1
Echinococcus granulosus peroxidasin 0.00458017 0.0134814 0.031832
Echinococcus granulosus sodium and chloride dependent glycine 0.00808947 0.0411448 0.0971502
Mycobacterium tuberculosis Probable oxidoreductase 0.0254197 0.177757 0.164155
Echinococcus granulosus serotonin transporter 0.0476543 0.35303 0.833568
Echinococcus multilocularis sodium and chloride dependent glycine 0.00808947 0.0411448 0.110701
Loa Loa (eye worm) hypothetical protein 0.00846561 0.0441098 0.0441098
Echinococcus granulosus neuroglian 0.0114556 0.0676793 0.159803
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.00458017 0.0134814 0.031832
Plasmodium vivax hypothetical protein, conserved 0.00846561 0.0441098 1
Loa Loa (eye worm) hypothetical protein 0.0476543 0.35303 0.35303
Schistosoma mansoni amine oxidase 0.00846561 0.0441098 0.0986157
Echinococcus granulosus mitogen activated protein kinase 14 0.0417915 0.306814 0.724444
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.00808947 0.0411448 0.0411448
Onchocerca volvulus Tyrosine kinase homolog 0.119727 0.92117 1
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Echinococcus granulosus uncharacterized sodium dependent transporter 0.00808947 0.0411448 0.0971502
Echinococcus multilocularis contactin neuroglian septate junction protein 0.00458017 0.0134814 0.0362721
Loa Loa (eye worm) hypothetical protein 0.00944367 0.0518198 0.0518198
Schistosoma mansoni Neurotrimin precursor (hNT) 0.00944367 0.0518198 0.119832
Echinococcus multilocularis sodium and chloride dependent glycine 0.00808947 0.0411448 0.110701
Brugia malayi amine oxidase, flavin-containing family protein 0.00846561 0.0441098 0.0441098
Loa Loa (eye worm) hypothetical protein 0.00808947 0.0411448 0.0411448
Brugia malayi Immunoglobulin I-set domain containing protein 0.00458017 0.0134814 0.0134814
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.00808947 0.0411448 0.0904565
Echinococcus multilocularis roundabout 2 0.0140238 0.0879248 0.236565
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.917263
Loa Loa (eye worm) norepinephrine transporter 0.0476543 0.35303 0.35303
Loa Loa (eye worm) solute carrier family 6 member 4 0.0476543 0.35303 0.35303
Plasmodium vivax hypothetical protein, conserved 0.00808947 0.0411448 0.917263
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.00808947 0.0411448 0.917263
Brugia malayi Prion-like- 0.00458017 0.0134814 0.0134814
Onchocerca volvulus 0.116857 0.898547 0.975076
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.00808947 0.0411448 0.0904565
Echinococcus granulosus uncharacterized sodium dependent transporter 0.00808947 0.0411448 0.0971502
Loa Loa (eye worm) hypothetical protein 0.012012 0.0720653 0.0720653

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.082 uM Antiplasmodial activity against Plasmodium falciparum assessed as inhibition of parasite LDH activity after 72 hrs ChEMBL. 21944972

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21944972

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

No literature references available for this target.

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