Detailed information for compound 178262

Basic information

Technical information
  • TDR Targets ID: 178262
  • Name: 11-chloro-5-methyl-10H-indolo[3,2-b]quinolin- 5-ium iodide
  • MW: 394.637 | Formula: C16H12ClIN2
  • H donors: 1 H acceptors: 0 LogP: 4.99 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[n+]1c2ccccc2c(c2c1c1ccccc1[nH]2)Cl.[I-]
  • InChi: 1S/C16H11ClN2.HI/c1-19-13-9-5-3-7-11(13)14(17)15-16(19)10-6-2-4-8-12(10)18-15;/h2-9H,1H3;1H
  • InChiKey: QYZNOMMKUWTTBT-UHFFFAOYSA-N  

Network

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Synonyms

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

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
Entamoeba histolytica protein kinase, putative 0.000931764 0.00235479 0.5
Schistosoma mansoni atypical protein kinase C 0.00159056 0.0795384 0.0773658
Loa Loa (eye worm) excitatory amino acid transporter 0.00944708 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.00944708 1 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.00944708 1 1
Schistosoma mansoni serine/threonine protein kinase 0.00165167 0.0866983 0.0845426
Schistosoma mansoni serine/threonine protein kinase 0.00594952 0.59023 0.589263
Echinococcus granulosus excitatory amino acid transporter 2 0.00944708 1 1
Brugia malayi Protein kinase c protein 2 0.00503786 0.48342 0.482201
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.00944708 1 0.5
Toxoplasma gondii AGC kinase 0.000931764 0.00235479 0.5
Echinococcus granulosus protein kinase c iota type 0.00159056 0.0795384 0.0773658
Trypanosoma brucei rac serine-threonine kinase, putative 0.000931764 0.00235479 0.5
Chlamydia trachomatis glutamate symporter 0.00944708 1 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.00437906 0.406236 0.404835
Onchocerca volvulus Excitatory amino acid transporter homolog 0.00944708 1 0.5
Echinococcus multilocularis protein kinase c epsilon type 0.00165167 0.0866983 0.0845426
Echinococcus granulosus protein kinase c epsilon type 0.00165167 0.0866983 0.0845426
Entamoeba histolytica protein kinase, putative 0.000931764 0.00235479 0.5
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Treponema pallidum glutamate/aspartate transporter 0.00363966 0.319609 0.5
Brugia malayi protein kinase C II. 0.00165167 0.0866983 0.0845426
Echinococcus granulosus Excitatory amino acid transporter 0.00944708 1 1
Loa Loa (eye worm) hypothetical protein 0.00495665 0.473905 0.472664
Echinococcus granulosus neutral amino acid transporter A 0.00944708 1 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Schistosoma mansoni serine/threonine protein kinase 0.00594952 0.59023 0.589263
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.00165167 0.0866983 0.0845426
Echinococcus granulosus excitatory amino acid transporter 2 0.00944708 1 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.00594952 0.59023 0.589263
Echinococcus granulosus Protein kinase C brain isozyme 0.00594952 0.59023 0.589263
Echinococcus multilocularis sodium:dicarboxylate symporter 0.00944708 1 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Echinococcus granulosus neutral amino acid transporter A 0.00944708 1 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Echinococcus granulosus RNA directed DNA polymerase 0.00429785 0.396722 0.395298
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.00363966 0.319609 0.318003
Echinococcus multilocularis Excitatory amino acid transporter 0.00944708 1 1
Entamoeba histolytica protein kinase, putative 0.000931764 0.00235479 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.00429785 0.396722 0.395298
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.00944708 1 0.5
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.00363966 0.319609 0.318003
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Echinococcus multilocularis neutral amino acid transporter A 0.00944708 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.00944708 1 1
Echinococcus granulosus excitatory amino acid transporter 3 0.00944708 1 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Echinococcus granulosus neutral amino acid transporter 0.00944708 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.00944708 1 1
Echinococcus multilocularis protein kinase c iota type 0.00159056 0.0795384 0.0773658
Treponema pallidum glutamate transporter 0.00363966 0.319609 0.5
Brugia malayi Excitatory amino acid transporter 0.00944708 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.00363966 0.319609 0.318003
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.00363966 0.319609 0.318003
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.00429785 0.396722 0.395298
Loa Loa (eye worm) hypothetical protein 0.00429785 0.396722 0.395298
Echinococcus granulosus sodium:dicarboxylate symporter 0.00944708 1 1
Trichomonas vaginalis AGC family protein kinase 0.000931764 0.00235479 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.00944708 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.00944708 1 1
Echinococcus multilocularis serine threonine protein kinase 0.00529073 0.513046 0.511897
Echinococcus multilocularis neutral amino acid transporter A 0.00944708 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.00944708 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.00944708 1 1
Echinococcus granulosus protein kinase C gamma type 0.00529073 0.513046 0.511897
Entamoeba histolytica protein kinase, putative 0.000931764 0.00235479 0.5

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; ND means Not determined ChEMBL. 11543688
IC50 (functional) = 0.24 uM In vitro inhibitory activity against P. falciparum chloroquine resistant strain K1. ChEMBL. 11543688
IC50 (functional) = 0.24 uM In vitro inhibitory activity against P. falciparum chloroquine resistant strain K1. ChEMBL. 11543688
IC50 (functional) = 1.67 uM In vitro inhibitory activity against malarial parasite P. falciparum chloroquine sensitive strain K1 ChEMBL. 11543688
IC50 (functional) = 1.67 uM In vitro inhibitory activity against malarial parasite P. falciparum chloroquine sensitive strain K1 ChEMBL. 11543688
IC50 (functional) = 30.5 uM Cytotoxicity against MAC15a cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688
IC50 (functional) = 30.5 uM Cytotoxicity against MAC15a cells when the drug is exposed for a time of 1 hr ChEMBL. 11543688

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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

1 literature reference was collected for this gene.

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