Detailed information for compound 1548909

Basic information

Technical information
  • TDR Targets ID: 1548909
  • Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimi din-5-yl]-N-(2-methoxyethyl)-2-pyridin-4-ylqu inoline-4-carboxamide
  • MW: 488.538 | Formula: C26H28N6O4
  • H donors: 2 H acceptors: 5 LogP: 2.01 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)c1cc(nc2c1cccc2)c1ccncc1
  • InChi: 1S/C26H28N6O4/c1-16(2)15-32-23(27)22(24(33)30-26(32)35)31(12-13-36-3)25(34)19-14-21(17-8-10-28-11-9-17)29-20-7-5-4-6-18(19)20/h4-11,14,16H,12-13,15,27H2,1-3H3,(H,30,33,35)
  • InChiKey: IGSUPMNDKUKYFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-pyridyl)quinoline-4-carboxamide
  • N-(6-amino-1-isobutyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(4-pyridyl)-4-quinolinecarboxamide
  • N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-pyridyl)cinchoninamide
  • N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-pyrimidin-5-yl]-N-(2-methoxyethyl)-2-pyridin-4-yl-quinoline-4-carboxamide
  • T5432432

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
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0313 0.093
Treponema pallidum NADH oxidase 0.0018 0.0313 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0313 0.093
Brugia malayi hypothetical protein 0.0015 0.0112 0.0144
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0055 0.2834 0.3709
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0313 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.2834 0.2773
Leishmania major trypanothione reductase 0.0051 0.254 1
Plasmodium vivax glutathione reductase, putative 0.0051 0.254 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.6906 0.8872
Trypanosoma brucei transcription elongation factor s-II, putative 0.0015 0.0112 0.0108
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.005 0.2504 0.3264
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.6906 0.8872
Schistosoma mansoni hepatoma derived growth factor 0.0015 0.0112 0.0027
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0313 0.0831
Brugia malayi Thioredoxin reductase 0.0051 0.254 0.3284
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.7736 1
Schistosoma mansoni SET domain protein 0.0016 0.0225 0.0141
Entamoeba histolytica hypothetical protein 0.0055 0.2834 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.139 0.1761
Schistosoma mansoni hypothetical protein 0.0015 0.0112 0.0027
Onchocerca volvulus 0.0015 0.0112 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.254 0.3313
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.7736 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0313 1
Brugia malayi glutathione reductase 0.0051 0.254 0.3284
Schistosoma mansoni hypothetical protein 0.0015 0.0112 0.0027
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0308
Echinococcus multilocularis PWWP domain containing protein 2A 0.0015 0.0112 0.0036
Entamoeba histolytica hypothetical protein 0.0055 0.2834 1
Brugia malayi hypothetical protein 0.0015 0.0112 0.0144
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0055 0.2834 0.3709
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.7773 1
Echinococcus multilocularis PWWP domain containing protein 2A 0.0015 0.0112 0.0036
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.7773 1
Entamoeba histolytica hypothetical protein 0.0015 0.0112 0.0096
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0313 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0313 0.093
Brugia malayi MH2 domain containing protein 0.0129 0.7736 1
Brugia malayi PWWP domain containing protein 0.0015 0.0112 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0015 0.0112 0.0108
Echinococcus granulosus PWWP domain containing protein 2A 0.0015 0.0112 0.0036
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0313 0.093
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0308
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.005 0.2504 0.3264
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.254 0.3209
Schistosoma mansoni hypothetical protein 0.0015 0.0112 0.0027
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0016 0.0225 0.0188
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0015 0.0112 0.0108
Echinococcus multilocularis geminin 0.0125 0.7497 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.6906 0.8872
Schistosoma mansoni hepatoma derived growth factor 0.0015 0.0112 0.0027
Onchocerca volvulus 0.0015 0.0112 0.5
Entamoeba histolytica hypothetical protein 0.0055 0.2834 1
Schistosoma mansoni SET domain protein 0.005 0.2504 0.244
Loa Loa (eye worm) glutathione reductase 0.0051 0.254 0.3209
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0085 0.011
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0313 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0313 0.093
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Plasmodium falciparum glutathione reductase 0.0051 0.254 1
Echinococcus granulosus PWWP domain containing protein 2A 0.0015 0.0112 0.0036
Leishmania major hypothetical protein, conserved 0.0015 0.0112 0.0108
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0016 0.0225 0.0188
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.7773 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.254 0.3193
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.139 0.1316
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0313 0.0831
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0313 1
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0015 0.0112 0.0108
Echinococcus multilocularis hepatoma derived growth factor protein 0.0015 0.0112 0.0036
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0034 0.139 0.1706
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0085 0.011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.139 0.1316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.139 0.1761
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0313 0.093
Mycobacterium tuberculosis Probable reductase 0.0116 0.6906 0.8872
Brugia malayi hypothetical protein 0.0055 0.2834 0.3663
Echinococcus granulosus peregrin 0.0015 0.0112 0.0036
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0313 0.093
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0313 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.254 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0034 0.139 0.1797
Loa Loa (eye worm) hypothetical protein 0.0015 0.0112 0.0035
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.6906 0.8872
Toxoplasma gondii thioredoxin reductase 0.0051 0.254 1
Echinococcus multilocularis peregrin 0.0015 0.0112 0.0036
Echinococcus granulosus geminin 0.0125 0.7497 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0313 0.093
Schistosoma mansoni transcription factor LCR-F1 0.0055 0.2834 0.2773
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.7773 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0313 0.023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0313 0.0297
Entamoeba histolytica hypothetical protein 0.0055 0.2834 1
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0015 0.0112 0.0108
Trypanosoma brucei trypanothione reductase 0.0051 0.254 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Echinococcus granulosus hepatoma derived growth factor protein 0.0015 0.0112 0.0036
Plasmodium falciparum thioredoxin reductase 0.0051 0.254 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0313 0.0405
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0313 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0313 0.093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.139 0.1761
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0015 0.0112 0.0108
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Schistosoma mansoni hypothetical protein 0.0125 0.7497 0.7475
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.254 1
Schistosoma mansoni phd finger protein 0.0015 0.0112 0.0027
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.254 0.3313
Loa Loa (eye worm) PWWP domain-containing protein 0.0015 0.0112 0.0035
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.6906 0.8872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.139 0.1316
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.139 0.1761
Schistosoma mansoni hypothetical protein 0.0125 0.7497 0.7475

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0165 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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