Detailed information for compound 503399

Basic information

Technical information
  • TDR Targets ID: 503399
  • Name: 5-[(4-methoxyphenoxy)methyl]quinazoline-2,4-d iamine
  • MW: 296.324 | Formula: C16H16N4O2
  • H donors: 2 H acceptors: 2 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OCc1cccc2c1c(N)nc(n2)N
  • InChi: 1S/C16H16N4O2/c1-21-11-5-7-12(8-6-11)22-9-10-3-2-4-13-14(10)15(17)20-16(18)19-13/h2-8H,9H2,1H3,(H4,17,18,19,20)
  • InChiKey: NQOUYIQROXACNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-amino-5-[(4-methoxyphenoxy)methyl]quinazolin-4-yl]amine

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
Echinococcus multilocularis thioredoxin glutathione reductase 0.0136 0.4101 0.4012
Brugia malayi Thioredoxin reductase 0.0136 0.4101 0.4101
Brugia malayi CHE-14 protein 0.0111 0.2971 0.2971
Loa Loa (eye worm) thioredoxin reductase 0.0136 0.4101 0.4101
Plasmodium vivax glyoxalase I, putative 0.019 0.6467 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0269 1 1
Onchocerca volvulus Lactoylglutathione lyase homolog 0.019 0.6467 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0126 0.3658 1
Echinococcus granulosus sterol regulatory element binding protein 0.0111 0.2971 0.2865
Plasmodium falciparum thioredoxin reductase 0.0136 0.4101 0.634
Treponema pallidum NADH oxidase 0.0047 0.0149 0.5
Chlamydia trachomatis outer membrane protein PmpD 0.0075 0.1366 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.0149 0.023
Trypanosoma cruzi lactoylglutathione lyase-like protein, putative 0.019 0.6467 0.6414
Leishmania major glyoxalase I,trypanothione-dependent glyoxalase I 0.019 0.6467 0.6414
Toxoplasma gondii thioredoxin reductase 0.0136 0.4101 0.634
Echinococcus granulosus Niemann Pick C1 protein 0.0111 0.2971 0.2865
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.0149 0.023
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0269 1 1
Loa Loa (eye worm) hypothetical protein 0.0269 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.0149 0.023
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.0149 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.0149 0.0149
Echinococcus multilocularis protein dispatched 1 0.0111 0.2971 0.2865
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.0149 0.023
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.0149 0.0406
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.0149 0.0406
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0269 1 1
Plasmodium vivax glutathione reductase, putative 0.0136 0.4101 0.634
Toxoplasma gondii glyoxalase I, putative 0.019 0.6467 1
Trypanosoma cruzi trypanothione reductase, putative 0.0136 0.4101 0.4012
Trypanosoma brucei trypanothione reductase 0.0136 0.4101 0.4012
Leishmania major trypanothione reductase 0.0136 0.4101 0.4012
Chlamydia trachomatis outer membrane protein PmpE 0.0075 0.1366 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.2971 0.2971
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.0149 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0269 1 1
Chlamydia trachomatis outer membrane protein PmpB 0.0075 0.1366 1
Chlamydia trachomatis outer membrane protein PmpF 0.0075 0.1366 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0047 0.0149 0.0362
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0269 1 1
Brugia malayi lactoylglutathione lyase 0.019 0.6467 0.6467
Trypanosoma cruzi lactoylglutathione lyase-like protein, putative 0.019 0.6467 0.6414
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0047 0.0149 0.0149
Schistosoma mansoni patched 1 0.0111 0.2971 0.2971
Plasmodium falciparum glutathione reductase 0.0136 0.4101 0.634
Plasmodium falciparum glyoxalase I 0.019 0.6467 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0136 0.4101 0.4012
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0047 0.0149 0.0149
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0111 0.2971 0.2971
Brugia malayi glutathione reductase 0.0136 0.4101 0.4101
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0047 0.0149 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0126 0.3658 1
Echinococcus granulosus Protein patched homolog 1 0.0111 0.2971 0.2865
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.2971 0.8124
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0047 0.0149 0.0149
Chlamydia trachomatis outer membrane protein PmpC 0.0075 0.1366 1
Plasmodium vivax thioredoxin reductase, putative 0.0136 0.4101 0.634
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.0149 0.023
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0126 0.3658 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0269 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0047 0.0149 0.0362
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0136 0.4101 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2971 0.2971
Plasmodium falciparum glutathione reductase 0.0047 0.0149 0.023
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.0149 0.0362
Echinococcus multilocularis Niemann Pick C1 protein 0.0111 0.2971 0.2865
Plasmodium falciparum thioredoxin reductase 0.0047 0.0149 0.023
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0269 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0111 0.2971 0.2865
Loa Loa (eye worm) hypothetical protein 0.019 0.6467 0.6467
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0126 0.3658 1
Echinococcus multilocularis protein patched 0.0111 0.2971 0.2865
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0269 1 1
Loa Loa (eye worm) glutathione reductase 0.0136 0.4101 0.4101
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0047 0.0149 0.0362
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.0149 0.0149
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.0149 0.023

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 2.1 Activation of SMN2 promoter in mouse NSC34 cells assessed as induction of beta-lactamase activity relative to nonactivated cells ChEMBL. 18205293
EC50 (functional) = 1.4 uM Activation of SMN2 promoter in mouse NSC34 cells assessed as induction of beta-lactamase activity ChEMBL. 18205293

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.

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