Detailed information for compound 1901949

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.266 | Formula: C14H25IN2++
  • H donors: 0 H acceptors: 0 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1cc(ccc1C[N+](C)(C)C)C[N+](C)(C)C
  • InChi: 1S/C14H25IN2/c1-16(2,3)10-12-7-8-13(14(15)9-12)11-17(4,5)6/h7-9H,10-11H2,1-6H3/q+2
  • InChiKey: SKTWVRFMTJJUSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0051 0.0644
Echinococcus multilocularis atrial natriuretic peptide receptor 0.007 0.1066 0.102
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0051 0.0596
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5386 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0799 0.1008
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0162 0.2891 0.2854
Schistosoma mansoni protein kinase 0.007 0.1066 0.1288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0377 0.0413
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2264 0.4277
Loa Loa (eye worm) glutamate receptor 2 0.0252 0.4699 0.6378
Brugia malayi Pre-SET motif family protein 0.0251 0.469 0.998
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2556 0.484
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0799 0.0751
Loa Loa (eye worm) glutamate receptor 0.007 0.1066 0.1376
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.007 0.1066 0.1376
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0063 0.0014
Loa Loa (eye worm) RGC/RGC protein kinase 0.007 0.1066 0.1376
Echinococcus multilocularis nmda type glutamate receptor 0.0516 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.044 0.8462 0.8454
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0278 0.5226 1
Echinococcus granulosus glutamate receptor 2 0.0322 0.6111 0.609
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0799 0.0751
Leishmania major trypanothione reductase 0.0057 0.0799 0.7366
Loa Loa (eye worm) hypothetical protein 0.0036 0.0377 0.0427
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.469 0.6365
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0162 0.2891 0.2854
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0051 0.0596
Schistosoma mansoni ATP-binding cassette transporter 0.0252 0.4699 0.5899
Brugia malayi Metabotropic glutamate receptor precursor. 0.007 0.1066 0.2183
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0051 0.0644
Echinococcus granulosus receptor type guanylyl cyclase 0.007 0.1066 0.102
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0278 0.5226 1
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0171 0.0225
Schistosoma mansoni glutamate receptor NMDA 0.0413 0.793 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0413 0.793 0.7919
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0171 0.012
Schistosoma mansoni tyrosine kinase 0.007 0.1066 0.1288
Onchocerca volvulus 0.0286 0.5386 1
Brugia malayi hypothetical protein 0.0147 0.26 0.5483
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0799 1
Plasmodium falciparum glutathione reductase 0.0057 0.0799 1
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0162 0.2891 0.2854
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2264 0.4277
Plasmodium vivax SET domain protein, putative 0.0036 0.0377 0.4694
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0377 0.0327
Brugia malayi Receptor family ligand binding region containing protein 0.007 0.1066 0.2183
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0322 0.6111 0.609
Schistosoma mansoni glutamate receptor AMPA 0.0252 0.4699 0.5899
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2556 0.484
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.007 0.1066 0.1376
Leishmania major extracellular receptor, putative 0.007 0.1066 1
Schistosoma mansoni glutamate receptor kainate 0.0252 0.4699 0.5899
Echinococcus multilocularis metabotropic glutamate receptor 5 0.007 0.1066 0.102
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.007 0.1066 0.1376
Echinococcus granulosus metabotropic glutamate receptor 5 0.007 0.1066 0.102
Schistosoma mansoni glutamate receptor kainate 0.0252 0.4699 0.5899
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0799 0.7366
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0799 0.1008
Schistosoma mansoni glutamate receptor AMPA 0.0252 0.4699 0.5899
Schistosoma mansoni glutamate receptor kainate 0.0252 0.4699 0.5899
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0377 0.0327
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Echinococcus multilocularis NMDA receptor 0.0162 0.2891 0.2854
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2556 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0162 0.2891 0.2854
Schistosoma mansoni metabotropic glutamate receptor 0.007 0.1066 0.1288
Echinococcus multilocularis metabotropic glutamate receptor 2 0.007 0.1066 0.102
Loa Loa (eye worm) RGC/RGC protein kinase 0.007 0.1066 0.1376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0377 0.0413
Echinococcus granulosus glutamate receptor NMDA 0.0077 0.1193 0.1148
Schistosoma mansoni tyrosine kinase 0.007 0.1066 0.1288
Brugia malayi hypothetical protein 0.007 0.1066 0.2183
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Echinococcus granulosus glutamate receptor subunit protein glur 0.0162 0.2891 0.2854
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0162 0.2891 0.2854
Echinococcus multilocularis receptor type guanylyl cyclase 0.007 0.1066 0.102
Echinococcus multilocularis tyrosine kinase 0.007 0.1066 0.102
Echinococcus multilocularis nmda type glutamate receptor 0.0147 0.2605 0.2566
Onchocerca volvulus 0.007 0.1066 0.1376
Echinococcus granulosus atrial natriuretic peptide receptor 0.007 0.1066 0.102
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0799 0.1445
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0171 0.0258
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0162 0.2891 0.2854
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0171 0.0225
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0322 0.6111 0.609
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2556 0.484
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Echinococcus granulosus tyrosine kinase 0.007 0.1066 0.102
Schistosoma mansoni glutamate receptor NMDA 0.0399 0.7649 0.9643
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0051 0.5
Loa Loa (eye worm) glutamate receptor 1 0.0252 0.4699 0.6378
Schistosoma mansoni metabotropic glutamate receptor 0.007 0.1066 0.1288
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0051 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2264 0.4277
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0377 0.0327
Loa Loa (eye worm) hypothetical protein 0.0383 0.733 1
Brugia malayi glutathione reductase 0.0057 0.0799 0.1608
Echinococcus multilocularis glutamate receptor 2 0.0252 0.4699 0.4672
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0278 0.5226 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0109 0.0764
Echinococcus multilocularis glutamate receptor NMDA 0.0077 0.1193 0.1148
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2264 0.4277
Brugia malayi metabotropic glutamate receptor type 2 0.007 0.1066 0.2183
Echinococcus multilocularis glutamate receptor 2 0.0322 0.6111 0.609
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0322 0.6111 0.609
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0351 0.0301
Brugia malayi metabotropic GABA-B receptor subtype 2 0.007 0.1066 0.2183
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0413 0.793 0.7919
Mycobacterium tuberculosis Probable reductase 0.013 0.2264 0.4277
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0377 0.0413
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0322 0.6111 0.609
Chlamydia trachomatis glutamine binding protein 0.0278 0.5226 1
Trypanosoma brucei trypanothione reductase 0.0057 0.0799 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0278 0.5226 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0377 0.0701
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0322 0.6111 0.609
Echinococcus granulosus metabotropic glutamate receptor 2 0.007 0.1066 0.102
Echinococcus granulosus nmda type glutamate receptor 0.0147 0.2605 0.2566
Plasmodium falciparum thioredoxin reductase 0.0057 0.0799 1
Schistosoma mansoni hypothetical protein 0.0162 0.2891 0.3604
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2264 0.4277
Brugia malayi Receptor family ligand binding region containing protein 0.007 0.1066 0.2183
Echinococcus granulosus glutamate receptor 2 0.0161 0.2875 0.2838
Loa Loa (eye worm) RGC/RGC protein kinase 0.007 0.1066 0.1376
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.007 0.1066 0.1376
Entamoeba histolytica hypothetical protein 0.007 0.1066 0.5
Onchocerca volvulus 0.007 0.1066 0.1376
Brugia malayi Glutamate receptor 2 precursor 0.0252 0.4699 1
Brugia malayi Glutamate receptor 1 precursor 0.0252 0.4699 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0051 0.5
Loa Loa (eye worm) RecQ helicase 0.0026 0.0171 0.0144
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0322 0.6111 0.609
Brugia malayi Guanylyl cyclase protein 23 0.007 0.1066 0.2183
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0322 0.6111 0.609
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0278 0.5226 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Echinococcus multilocularis glutamate receptor 2 0.0161 0.2875 0.2838
Plasmodium vivax glutathione reductase, putative 0.0057 0.0799 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0322 0.6111 0.609
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0377 0.4722
Trypanosoma cruzi extracellular receptor, putative 0.007 0.1066 1
Echinococcus granulosus bloom syndrome protein 0.0026 0.0171 0.012
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0377 0.0413
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376
Brugia malayi Thioredoxin reductase 0.0057 0.0799 0.1608
Toxoplasma gondii thioredoxin reductase 0.0057 0.0799 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1066 0.1376

Activities

No activities found for this compound.

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

No literature references available for this target.

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