Detailed information for compound 516030

Basic information

Technical information
  • TDR Targets ID: 516030
  • Name: 2,2-dimethylpyrano[3,2-g]quinoline-5,10-dione
  • MW: 241.242 | Formula: C14H11NO3
  • H donors: 0 H acceptors: 3 LogP: 1.86 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C2=C(C=CC(O2)(C)C)C(=O)c2c1nccc2
  • InChi: 1S/C14H11NO3/c1-14(2)6-5-9-11(16)8-4-3-7-15-10(8)12(17)13(9)18-14/h3-7H,1-2H3
  • InChiKey: XZDXDUUHNHBSSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2-dimethylpyrano[3,2-g]quinoline-5,10-quinone
  • 2,2-dimethylpyrano[5,6-g]quinoline-5,10-dione
  • 2,2-dimethylpyrano[5,6-g]quinoline-5,10-quinone

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 Rab geranylgeranyltransferase alpha subunit, putative 0.004 0.0382 0.0408
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.0408
Trypanosoma cruzi protein farnesyltransferase, putative 0.0069 0.1222 0.1167
Echinococcus granulosus sodium:myo inositol cotransporter 0.0147 0.3502 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0296 0.7883 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.004 0.0382 0.2755
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.0408
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0069 0.1222 0.4942
Trypanosoma cruzi trypanothione synthetase 0.0071 0.1275 0.122
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0037 0.0297 0.0848
Trypanosoma brucei lanosterol synthase 0.0119 0.2691 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0069 0.1222 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.0321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.1215
Mycobacterium tuberculosis Conserved hypothetical protein 0.0172 0.4241 1
Trypanosoma cruzi lanosterol synthase, putative 0.0119 0.2691 0.2645
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.004 0.0382 0.1543
Echinococcus multilocularis high affinity choline transporter 1 0.0037 0.0297 0.0848
Brugia malayi GH02984p 0.0037 0.0297 0.1201
Echinococcus granulosus high affinity choline transporter 1 0.0037 0.0297 0.0848
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0111 0.2472 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.7883 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.0147 0.3502 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.004 0.0382 0.1215
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0069 0.1222 0.3489
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0069 0.1222 1
Giardia lamblia Rab geranylgeranyltransferase 0.004 0.0382 0.0408
Trypanosoma cruzi trypanothione synthetase 0.0071 0.1275 0.122
Mycobacterium tuberculosis Conserved protein 0.0172 0.4241 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.181
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0251
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0037 0.0297 0.2024
Schistosoma mansoni sodium/solute symporter 0.0037 0.0297 0.0848
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.004 0.0382 0.109
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0111 0.2472 0.3082
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0069 0.1222 0.4942
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.004 0.0382 0.1215
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.0321
Onchocerca volvulus 0.0037 0.0297 0.778
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0069 0.1222 0.1483
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0111 0.2472 0.3082
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.7883 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0111 0.2472 0.7059
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3441 0.4838
Loa Loa (eye worm) hypothetical protein 0.004 0.0382 0.1543
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Treponema pallidum fructose-bisphosphate aldolase 0.0296 0.7883 0.5
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0111 0.2472 0.7059
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0111 0.2472 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0297 0.1201
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.0408
Trypanosoma cruzi protein farnesyltransferase, putative 0.0069 0.1222 0.1167
Giardia lamblia Prenyltransferase 0.0069 0.1222 0.1483
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.004 0.0382 0.109
Trypanosoma brucei trypanothione synthetase, putative 0.0071 0.1275 0.4613
Mycobacterium ulcerans hypothetical protein 0.0172 0.4241 1
Trypanosoma cruzi lanosterol synthase, putative 0.0119 0.2691 0.2645
Loa Loa (eye worm) hypothetical protein 0.0037 0.0297 0.1201
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.004 0.0382 0.1543
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.004 0.0382 0.1543
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.004 0.0382 0.2755
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0037 0.0297 0.0848
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0382 0.109
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0069 0.1222 0.3489
Toxoplasma gondii hypothetical protein 0.004 0.0382 0.2755
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0069 0.1222 0.4412
Mycobacterium ulcerans hypothetical protein 0.0172 0.4241 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.004 0.0382 0.1543
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0382 0.0321
Echinococcus granulosus protein prenyltransferase alpha subunit 0.004 0.0382 0.109
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0111 0.2472 0.7059
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.004 0.0382 0.109
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0069 0.1222 0.1483
Echinococcus multilocularis solute carrier family 5 0.0147 0.3502 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0029 0.0062 0.0251
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0069 0.1222 0.1483
Giardia lamblia Rab geranylgeranyltransferase 0.004 0.0382 0.0408
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0251
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0069 0.1222 0.1483
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.004 0.0382 0.109
Mycobacterium leprae conserved hypothetical protein 0.0172 0.4241 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0069 0.1222 0.1483
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.004 0.0382 0.109
Leishmania major lanosterol synthase, putative 0.009 0.1827 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Onchocerca volvulus 0.004 0.0382 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.004 0.0382 0.2755
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.004 0.0382 0.0408
Schistosoma mansoni high-affinity choline transporter 0.0037 0.0297 0.0848
Echinococcus granulosus sodium:glucose cotransporter 0.0147 0.3502 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0039 0.0358 0.2555
Brugia malayi Sodium:solute symporter family protein 0.0037 0.0297 0.1201
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0382 0.0321
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0111 0.2472 0.7059
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.004 0.0382 0.2755
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0069 0.1222 0.3489
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0147 0.3502 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.004 0.0382 0.0321
Schistosoma mansoni inositol transporter 0.0147 0.3502 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.004 0.0382 0.0408
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.004 0.0382 0.109
Trypanosoma brucei trypanothione synthetase 0.0071 0.1275 0.4613
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0029 0.0062 0.0177
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0029 0.0062 0.0177
Entamoeba histolytica hypothetical protein, conserved 0.0172 0.4241 0.5344
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0069 0.1222 0.1483
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0382 0.1215
Leishmania major trypanothione synthetase, putative 0.0071 0.1275 0.687
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0069 0.1222 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0069 0.1222 0.1483
Leishmania major farnesyltransferase beta subunit 0.0069 0.1222 0.657
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0147 0.3502 1
Echinococcus granulosus solute carrier family 5 0.0147 0.3502 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1
Schistosoma mansoni inositol transporter 0.0147 0.3502 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7883 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 44.8 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen assessed as trypomastigote viability at 20.1 uM by MTT assay relative to control ChEMBL. 18029184
Activity (functional) = 44.8 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen assessed as trypomastigote viability at 20.1 uM by MTT assay relative to control ChEMBL. 18029184
Activity (functional) = 243.3 % Effect on oxygen uptake per mg of protein in Trypanosoma cruzi Tulahuen epimastigotes relative to control ChEMBL. 18029184
Activity (functional) = 243.3 % Effect on oxygen uptake per mg of protein in Trypanosoma cruzi Tulahuen epimastigotes relative to control ChEMBL. 18029184
Activity (functional) = 254 % Effect on oxygen redox cycling in Trypanosoma cruzi Tulahuen assessed as oxygen consumption per mg of protein relative to control ChEMBL. 18029184
Activity (functional) = 254 % Effect on oxygen redox cycling in Trypanosoma cruzi Tulahuen assessed as oxygen consumption per mg of protein relative to control ChEMBL. 18029184
IC50 (functional) = 20.1 uM Growth inhibition of Trypanosoma cruzi Tulahuen epimastigotes assessed as drug level causing decrease in growth constant ChEMBL. 18029184
IC50 (functional) = 20.1 uM Growth inhibition of Trypanosoma cruzi Tulahuen epimastigotes assessed as drug level causing decrease in growth constant ChEMBL. 18029184

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.

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