Detailed information for compound 152437

Basic information

Technical information
  • TDR Targets ID: 152437
  • Name: 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodi de
  • MW: 360.192 | Formula: C16H13IN2
  • H donors: 1 H acceptors: 0 LogP: 4.73 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[n+]1c2ccccc2cc2c1c1ccccc1[nH]2.[I-]
  • InChi: 1S/C16H12N2.HI/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14;/h2-10H,1H3;1H
  • InChiKey: JPONSZNIDBPEJA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-10H-quinolino[3,2-b]indol-5-ium iodide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi trypanothione reductase, putative Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast trypanothione reductase, putative 492 aa 548 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii thioredoxin reductase 0.00761339 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.00263827 0 0.5
Leishmania major trypanothione reductase 0.00761339 1 1
Trypanosoma brucei trypanothione reductase 0.00761339 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.00263827 0 0.5
Plasmodium falciparum glutathione reductase 0.00761339 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.00263827 0 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.00263827 0 0.5
Loa Loa (eye worm) thioredoxin reductase 0.00761339 1 0.5
Brugia malayi Thioredoxin reductase 0.00761339 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.00761339 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.00761339 1 1
Treponema pallidum NADH oxidase 0.00263827 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.00263827 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.00263827 0 0.5
Plasmodium vivax glutathione reductase, putative 0.00761339 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.00263827 0 0.5
Trichomonas vaginalis glutathione reductase, putative 0.00263827 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.00263827 0 0.5
Plasmodium falciparum thioredoxin reductase 0.00761339 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.00263827 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.00761339 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.00761339 1 1
Loa Loa (eye worm) glutathione reductase 0.00761339 1 0.5
Plasmodium vivax thioredoxin reductase, putative 0.00761339 1 1
Brugia malayi glutathione reductase 0.00761339 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 % Inhibitory activity against P. berghei (ANKA) in mice at a dose of 20 mg/kg for 4 days; NT means Not tested ChEMBL. 11543688
Change of predose (functional) = -22.5 % Compound was evaluated in vitro for its ability to stimulate glucose transport in 3T3-L1 adipocytes ,given at 100 mg/kg in mouse,after 24 hr ChEMBL. 9526563
Change of predose (functional) = -22.5 % Compound was evaluated in vitro for its ability to stimulate glucose transport in 3T3-L1 adipocytes ,given at 100 mg/kg in mouse,after 24 hr ChEMBL. 9526563
Change of predose (functional) = -11.5 % Compound was evaluated in vitro for its ability to stimulate glucose transport in 3T3-L1 adipocytes ,given at 100 mg/kg in mouse,after 3 hr ChEMBL. 9526563
Change of predose (functional) = -11.5 % Compound was evaluated in vitro for its ability to stimulate glucose transport in 3T3-L1 adipocytes ,given at 100 mg/kg in mouse,after 3 hr ChEMBL. 9526563
Food intake (functional) = 1 g mouse-1 day-1 Food intake in db/db Mice expressed as gram/mouse/day and the observation made is after 48 hr. ChEMBL. 9526563
Food intake (functional) = 1 g mouse-1 day-1 Food intake in db/db Mice expressed as gram/mouse/day and the observation made is after 48 hr. ChEMBL. 9526563
Glucose transport (functional) = 134 % In vitro glucose transport activity in 3T3-LI adipocytes at 3 microM concentration. ChEMBL. 9667966
Glucose transport (functional) = 134 % In vitro glucose transport activity in 3T3-LI adipocytes at 3 microM concentration. ChEMBL. 9667966
Glucose transport (functional) = 163 % In vitro glucose transport activity in 3T3-LI adipocytes at 10 microM concentration. ChEMBL. 9667966
Glucose transport (functional) = 163 % In vitro glucose transport activity in 3T3-LI adipocytes at 10 microM concentration. ChEMBL. 9667966
Glucose transport (functional) = 287 % In vitro glucose transport activity in 3T3-LI adipocytes at 30 microM concentration. ChEMBL. 9667966
Glucose transport (functional) = 287 % In vitro glucose transport activity in 3T3-LI adipocytes at 30 microM concentration. ChEMBL. 9667966
IC12 (functional) = 1.5 ug ml-1 Growth inhibition of Saccharomyces cerevisiae 1138 mutant by yeast bioassay ChEMBL. 10425120
IC50 (functional) Antibacterial activity against Escherichia coli by NCCLS method ChEMBL. 21459492
IC50 (functional) = 0.18 ug ml-1 Antiinfective activity against Plasmodium falciparum D6 infected red blood cells ChEMBL. 17134906
IC50 (functional) = 0.23 ug ml-1 Antileishmanial activity against Leishmania donovani promastigotes ChEMBL. 17134906
IC50 (functional) = 0.23 ug ml-1 Antileishmanial activity against Leishmania donovani promastigotes ChEMBL. 17134906
IC50 (functional) = 0.35 ug ml-1 Antiinfective activity against Plasmodium falciparum W2 in red blood cells ChEMBL. 17134906
IC50 (functional) = 0.35 ug ml-1 Antiinfective activity against Plasmodium falciparum W2 in red blood cells ChEMBL. 17134906
IC50 (ADMET) = 3.2 ug ml-1 Cytotoxicity against Vero cells ChEMBL. 17134906
IC50 (functional) = 15 ug ml-1 Antibacterial activity against Mycobacterium intracellulare ATCC 23068 ChEMBL. 17134906
IC50 (functional) = 0.27 uM In vitro inhibitory activity against malarial parasite P. falciparum chloroquine sensitive strain K1 ChEMBL. 11543688
IC50 (functional) = 0.27 uM In vitro inhibitory activity against malarial parasite P. falciparum chloroquine sensitive strain K1 ChEMBL. 11543688
IC50 (functional) = 0.44 uM In vitro inhibitory activity against P. falciparum chloroquine resistant strain K1. ChEMBL. 11543688
IC50 (functional) = 0.44 uM In vitro inhibitory activity against P. falciparum chloroquine resistant strain K1. ChEMBL. 11543688
IC50 (functional) = 0.55 uM Cytotoxicity against A549 cells when the drug is exposed for a time of 96 hrs ChEMBL. 11543688
IC50 (functional) = 0.55 uM Cytotoxicity against A549 cells when the drug is exposed for a time of 96 hrs ChEMBL. 11543688
IC50 (functional) = 1.44 uM Cytotoxicity against DLD-1 cells when the drug is exposed for a time of 96 hrS ChEMBL. 11543688
IC50 (functional) = 1.44 uM Cytotoxicity against DLD-1 cells when the drug is exposed for a time of 96 hrS ChEMBL. 11543688
IC50 (functional) = 9.65 uM Cytotoxicity against MAC15a cells when the drug is exposed for a time of 96 hr ChEMBL. 11543688
IC50 (functional) = 9.65 uM Cytotoxicity against MAC15a cells when the drug is exposed for a time of 96 hr ChEMBL. 11543688
IC50 (functional) = 61.4 uM Cytotoxicity against A549 cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
IC50 (functional) = 61.4 uM Cytotoxicity against A549 cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
IC50 (functional) = 67.2 uM Cytotoxicity against MAC15a cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
IC50 (functional) = 67.2 uM Cytotoxicity against MAC15a cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
IC50 (functional) = 93 uM Cytotoxicity against DLD-1 cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
IC50 (functional) = 93 uM Cytotoxicity against DLD-1 cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
Inhibition (functional) 0 Inhibition of beta hematin formation; yes ChEMBL. 11543688
MBC (functional) Antibacterial activity against Escherichia coli by NCCLS method ChEMBL. 21459492
Mean body weight (functional) = 41.9 g mouse-1 Mean body weight expressed as grams/mouse at 24hrs, when given at 100 mg/kg ChEMBL. 9526563
Mean body weight (functional) = 41.9 g mouse-1 Mean body weight expressed as grams/mouse at 24hrs, when given at 100 mg/kg ChEMBL. 9526563
Mean body weight (functional) = 42.7 g mouse-1 Mean body weight expressed as grams/mouse at 0hrs, when given at 100 mg/kg ChEMBL. 9526563
Mean body weight (functional) = 42.7 g mouse-1 Mean body weight expressed as grams/mouse at 0hrs, when given at 100 mg/kg ChEMBL. 9526563
MIC (functional) Antibacterial activity against Escherichia coli by NCCLS method ChEMBL. 21459492
MIC (functional) = 2 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 ChEMBL. 17134906
MIC (functional) = 2 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 ChEMBL. 17134906
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 90113 by NCCLS method ChEMBL. 21459492
MIC (functional) > 20 ug ml-1 Antibacterial activity against Aspergillus fumigatus ATCC 90906 ChEMBL. 17134906
MIC (functional) > 250 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 by NCCLS method ChEMBL. 21459492

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania donovani ChEMBL23 17134906
Homo sapiens ChEMBL23 11543688
Mus musculus ChEMBL23 11543688
Plasmodium falciparum ChEMBL23 11543688

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

4 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.