Detailed information for compound 503382

Basic information

Technical information
  • TDR Targets ID: 503382
  • Name: 5-[(1R)-1-phenylethoxy]quinazoline-2,4-diamin e
  • MW: 280.324 | Formula: C16H16N4O
  • H donors: 2 H acceptors: 2 LogP: 2.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)cccc2O[C@@H](c1ccccc1)C
  • InChi: 1S/C16H16N4O/c1-10(11-6-3-2-4-7-11)21-13-9-5-8-12-14(13)15(17)20-16(18)19-12/h2-10H,1H3,(H4,17,18,19,20)/t10-/m1/s1
  • InChiKey: DXXZQWKKQKOALI-SNVBAGLBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-amino-5-[(1R)-1-phenylethoxy]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
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Schistosoma mansoni hypothetical protein 0.0177 0.5039 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0384 0.0384
Onchocerca volvulus 0.005 0.1268 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0355 0.0355
Schistosoma mansoni acetylcholinesterase 0.0024 0.0488 0.0969
Mycobacterium tuberculosis Carboxylesterase LipT 0.0024 0.0488 1
Echinococcus multilocularis carboxylesterase 5A 0.0143 0.402 0.402
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Echinococcus multilocularis neuroligin 0.0024 0.0488 0.0488
Echinococcus granulosus BC026374 protein S09 family 0.0024 0.0488 0.0488
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0355 0.5
Schistosoma mansoni loxhd1 0.0021 0.0384 0.0761
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0384 0.0566
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0384 1
Loa Loa (eye worm) carboxylesterase 0.0024 0.0488 0.072
Schistosoma mansoni hypothetical protein 0.0177 0.5039 1
Brugia malayi Carboxylesterase family protein 0.0024 0.0488 0.072
Echinococcus multilocularis BC026374 protein (S09 family) 0.0024 0.0488 0.0488
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.6782 1
Echinococcus granulosus acetylcholinesterase 0.0143 0.402 0.402
Brugia malayi Doublecortin family protein 0.0021 0.0384 0.0566
Onchocerca volvulus 0.0024 0.0488 0.3853
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.0488 1
Onchocerca volvulus 0.0021 0.0384 0.3025
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0355 0.5
Echinococcus multilocularis geminin 0.0177 0.5039 0.5039
Onchocerca volvulus 0.0024 0.0488 0.3853
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0355 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0024 0.0488 0.0488
Brugia malayi Carboxylesterase family protein 0.0024 0.0488 0.072
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0384 0.0384
Echinococcus granulosus acetylcholinesterase 0.0143 0.402 0.402
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0566
Onchocerca volvulus 0.0024 0.0488 0.3853
Brugia malayi Carboxylesterase family protein 0.0024 0.0488 0.072
Brugia malayi Carboxylesterase family protein 0.0143 0.402 0.5926
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0384 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0355 0.5
Schistosoma mansoni polycystin 1-related 0.0021 0.0384 0.0761
Brugia malayi hypothetical protein 0.0024 0.0488 0.072
Loa Loa (eye worm) hypothetical protein 0.0143 0.402 0.5926
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0355 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0355 0.0524
Brugia malayi hypothetical protein 0.0021 0.0384 0.0566
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0143 0.402 0.7977
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0384 0.0384
Trichomonas vaginalis spcc417.12 protein, putative 0.0024 0.0488 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0355 0.0524
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0384 0.0384
Schistosoma mansoni ap endonuclease 0.002 0.0355 0.0705
Onchocerca volvulus 0.0021 0.0384 0.3025
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.1487 0.1487
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0566
Brugia malayi Carboxylesterase family protein 0.0143 0.402 0.5926
Loa Loa (eye worm) hypothetical protein 0.005 0.1268 0.1869
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0355 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0024 0.0488 0.0969
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0384 0.0384
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0355 0.5
Loa Loa (eye worm) carboxylesterase 0.0024 0.0488 0.072
Echinococcus granulosus para nitrobenzyl esterase 0.0024 0.0488 0.0488
Onchocerca volvulus 0.0024 0.0488 0.3853
Schistosoma mansoni rab6-interacting 0.0021 0.0384 0.0761
Loa Loa (eye worm) hypothetical protein 0.0143 0.402 0.5926
Echinococcus multilocularis para nitrobenzyl esterase 0.0024 0.0488 0.0488
Echinococcus multilocularis acetylcholinesterase 0.0143 0.402 0.402
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0488 0.0969
Echinococcus granulosus carboxylesterase 5A 0.0143 0.402 0.402
Echinococcus multilocularis acetylcholinesterase 0.0143 0.402 0.402
Brugia malayi follicle stimulating hormone receptor 0.0236 0.6782 1
Schistosoma mansoni lipoxygenase 0.0058 0.1487 0.2951
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1268 0.2516
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0024 0.0488 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0488 0.0969
Toxoplasma gondii exonuclease III APE 0.002 0.0355 0.5
Echinococcus granulosus neuroligin 0.0024 0.0488 0.0488
Loa Loa (eye worm) hypothetical protein 0.0024 0.0488 0.072
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0384 0.0384
Onchocerca volvulus 0.0024 0.0488 0.3853
Loa Loa (eye worm) acetylcholinesterase 1 0.0143 0.402 0.5926
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0355 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0488 0.0969
Echinococcus multilocularis RUN 0.0021 0.0384 0.0384
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0024 0.0488 0.0488
Schistosoma mansoni hypothetical protein 0.0021 0.0384 0.0761
Brugia malayi hypothetical protein 0.0021 0.0384 0.0566
Loa Loa (eye worm) carboxylesterase 0.0143 0.402 0.5926
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.0488 1
Echinococcus granulosus RUN 0.0021 0.0384 0.0384
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.1487 0.1487
Schistosoma mansoni gliotactin 0.0024 0.0488 0.0969
Schistosoma mansoni rab6-interacting 0.0021 0.0384 0.0761
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0355 0.0355
Schistosoma mansoni lipoxygenase 0.0021 0.0384 0.0761
Mycobacterium ulcerans carboxylesterase, LipT 0.0024 0.0488 1
Brugia malayi Carboxylesterase family protein 0.0024 0.0488 0.072
Schistosoma mansoni BC026374 protein (S09 family) 0.0024 0.0488 0.0969
Schistosoma mansoni ap endonuclease 0.002 0.0355 0.0705
Echinococcus granulosus geminin 0.0177 0.5039 0.5039
Echinococcus multilocularis tumor protein p63 0.0344 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.22 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.

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