Detailed information for compound 71437

Basic information

Technical information
  • TDR Targets ID: 71437
  • Name: N-(2,4-diaminoquinazolin-6-yl)-N-[(3,4-dichlo rophenyl)methyl]nitrous amide
  • MW: 363.201 | Formula: C15H12Cl2N6O
  • H donors: 2 H acceptors: 3 LogP: 3.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=NN(c1ccc2c(c1)c(N)nc(n2)N)Cc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C15H12Cl2N6O/c16-11-3-1-8(5-12(11)17)7-23(22-24)9-2-4-13-10(6-9)14(18)21-15(19)20-13/h1-6H,7H2,(H4,18,19,20,21)
  • InChiKey: YVQXNYOBSUPZMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-diamino-6-quinazolinyl)-N-[(3,4-dichlorophenyl)methyl]nitrous amide
  • N-[2,4-bis(azanyl)quinazolin-6-yl]-N-[(3,4-dichlorophenyl)methyl]nitrous amide
  • N-(2,4-diaminoquinazolin-6-yl)-N-(3,4-dichlorobenzyl)nitrous amide
  • nitroquine
  • 22316-71-8
  • BRN 0897689
  • CI 679
  • N(6)-((3,4-Dichlorophenyl)methyl)- N(6)-nitroso-2,4,6-quinazolinetriamine
  • Quinazoline, 2,4-diamino-6-((3,4-dichlorobenzyl)nitrosamino)-
  • CI-679
  • 2,4,6-Quinazolinetriamine, N(sup 6)-((3,4-dichlorophenyl)methyl)-N(sup 6)-nitroso- (9CI)
  • 2,4-Diamino-6-((3,4-dichlorobenzyl)nitrosamino)quinazoline

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
Onchocerca volvulus 0.0016 0 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1404 0.4663 1
Onchocerca volvulus 0.0016 0 0.5
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1404 0.4663 0.5
Onchocerca volvulus 0.0016 0 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.1232 0.4085 0.4085
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1404 0.4663 1
Onchocerca volvulus 0.0016 0 0.5
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.2994 1 1
Loa Loa (eye worm) hypothetical protein 0.2994 1 1
Onchocerca volvulus 0.0016 0 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2994 1 0.5
Echinococcus multilocularis sterol regulatory element binding protein 0.1232 0.4085 0.4085
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.2994 1 0.5
Echinococcus granulosus Protein patched homolog 1 0.1232 0.4085 0.4085
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.2994 1 0.5
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Echinococcus multilocularis protein dispatched 1 0.1232 0.4085 0.4085
Echinococcus multilocularis Niemann Pick C1 protein 0.1232 0.4085 0.4085
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1232 0.4085 0.4085
Echinococcus multilocularis protein patched 0.1232 0.4085 0.4085
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2994 1 0.5
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1232 0.4085 0.4085
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.2994 1 1
Onchocerca volvulus 0.0016 0 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1404 0.4663 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.2994 1 0.5
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Schistosoma mansoni patched 1 0.1232 0.4085 0.4085
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.2994 1 1
Onchocerca volvulus 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1232 0.4085 0.4085
Echinococcus granulosus Niemann Pick C1 protein 0.1232 0.4085 0.4085
Brugia malayi CHE-14 protein 0.1232 0.4085 0.4085
Onchocerca volvulus Neuropeptide F receptor homolog 0.0016 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Delta MST (functional) = 0 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 640 mg/kg; 5 survived after 60 days of postinfection ChEMBL. 6227747
Delta MST (functional) = 0 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 320 mg/kg. ChEMBL. 6227747
Delta MST (functional) = 0 day Change in mean survival time of Trophozoite-induced P. berghei innoculated mice following 160 mg/kg s.c. administration; Survival 60 days postinfection. ChEMBL. 6227747
Delta MST (functional) = 0 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 80 mg/kg. ChEMBL. 6227747
Delta MST (functional) = 0 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 40 mg/kg. ChEMBL. 6227747
Delta MST (functional) = 2.9 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 5 mg/kg ChEMBL. 6227747
Delta MST (functional) = 2.9 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 5 mg/kg ChEMBL. 6227747
Delta MST (functional) = 7.5 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 10 mg/kg ChEMBL. 6227747
Delta MST (functional) = 7.5 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 10 mg/kg ChEMBL. 6227747
Delta MST (functional) = 9.9 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 10 mg/kg ChEMBL. 6227747
Delta MST (functional) = 9.9 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 10 mg/kg ChEMBL. 6227747
Delta MST (functional) = 20.9 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 20 mg/kg; 2 survived after 60 days of postinfection ChEMBL. 6227747
Delta MST (functional) = 20.9 day Antimalarial effect against Trophozoite-induced P. berghei in mice after subcutaneous administration dose of 20 mg/kg; 2 survived after 60 days of postinfection ChEMBL. 6227747
log(1/SD90) (functional) = 6.13 Antimalarial activity against Plasmodium berghei infected in po dosed mouse assessed as suppression of parasitemia administered for 4 days ChEMBL. 319234

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

10 literature references were collected for this gene.

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