Detailed information for compound 503377

Basic information

Technical information
  • TDR Targets ID: 503377
  • Name: 5-[1-(1,3-benzodioxol-5-yl)ethoxy]quinazoline -2,4-diamine
  • MW: 324.334 | Formula: C17H16N4O3
  • H donors: 2 H acceptors: 2 LogP: 2.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)cccc2OC(c1ccc2c(c1)OCO2)C
  • InChi: 1S/C17H16N4O3/c1-9(10-5-6-12-14(7-10)23-8-22-12)24-13-4-2-3-11-15(13)16(18)21-17(19)20-11/h2-7,9H,8H2,1H3,(H4,18,19,20,21)
  • InChiKey: WZIVHCKSJBZIMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-amino-5-[1-(1,3-benzodioxol-5-yl)ethoxy]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
Brugia malayi Intermediate filament tail domain containing protein 0.0089 0.039 0.0496
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0333 0.2035 0.2586
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Onchocerca volvulus 0.0237 0.1388 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.011 0.0077
Onchocerca volvulus 0.0089 0.039 0.2718
Toxoplasma gondii transporter, major facilitator family protein 0.0062 0.0205 0.148
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Echinococcus multilocularis snurportin 1 0.0333 0.2035 0.5836
Echinococcus granulosus agrin 0.0042 0.0073 0.0211
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0217 0.1257 0.1297
Mycobacterium leprae conserved hypothetical protein 0.0237 0.1388 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.008 0.0101
Brugia malayi hypothetical protein 0.0246 0.1446 0.1837
Brugia malayi glutaminase DH11.1 0.1198 0.7871 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Brugia malayi intermediate filament protein 0.0089 0.039 0.0496
Echinococcus multilocularis lamin dm0 0.0089 0.039 0.1119
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.1446 0.4147
Loa Loa (eye worm) hypothetical protein 0.0237 0.1388 0.1763
Onchocerca volvulus Putative organic anion transporter 0.0062 0.0205 0.1368
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0042 0.0073 0.0529
Loa Loa (eye worm) hypothetical protein 0.0089 0.039 0.0496
Echinococcus granulosus intermediate filament protein 0.0089 0.039 0.1119
Schistosoma mansoni follistatin 0.0042 0.0073 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0081 0.0039
Onchocerca volvulus Putative organic anion transporter 0.0062 0.0205 0.1368
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0237 0.1388 0.1148
Loa Loa (eye worm) hypothetical protein 0.0042 0.0073 0.0093
Loa Loa (eye worm) hypothetical protein 0.0043 0.0081 0.0103
Loa Loa (eye worm) TAR-binding protein 0.0136 0.071 0.0902
Mycobacterium ulcerans hypothetical protein 0.0237 0.1388 0.1469
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.088 0.2523
Trichomonas vaginalis esterase, putative 0.0237 0.1388 0.171
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0103 0.062
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0309 0.0393
Brugia malayi sodium-independent organic anion transporter family protein 0.0062 0.0205 0.0261
Brugia malayi beta-lactamase 0.0237 0.1388 0.1763
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.1446 0.4147
Schistosoma mansoni organic anion transporter 0.0062 0.0205 0.0261
Echinococcus multilocularis beta LACTamase domain containing family member 0.0237 0.1388 0.398
Schistosoma mansoni chromobox protein 0.0077 0.0309 0.0393
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Schistosoma mansoni tar DNA-binding protein 0.0136 0.071 0.0902
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0062 0.0205 0.0589
Echinococcus multilocularis lamin 0.0089 0.039 0.1119
Echinococcus multilocularis chromobox protein 1 0.0077 0.0309 0.0886
Loa Loa (eye worm) ICD-1 protein 0.0039 0.005 0.0064
Trypanosoma cruzi MFS transporter, putative 0.0062 0.0205 0.1159
Echinococcus multilocularis tar DNA binding protein 0.0136 0.071 0.2036
Echinococcus granulosus Solute carrier organic anion transporter family 0.0062 0.0205 0.0589
Echinococcus granulosus tar DNA binding protein 0.0136 0.071 0.2036
Loa Loa (eye worm) hypothetical protein 0.0237 0.1388 0.1763
Schistosoma mansoni hypothetical protein 0.0548 0.3487 0.4431
Brugia malayi cytoplasmic intermediate filament protein 0.0048 0.0111 0.0142
Echinococcus granulosus geminin 0.0548 0.3487 1
Toxoplasma gondii ABC1 family protein 0.0237 0.1388 1
Mycobacterium tuberculosis Probable lipase LipE 0.0237 0.1388 0.1148
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.071 0.0902
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.071 0.0902
Onchocerca volvulus 0.0042 0.0073 0.0406
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0062 0.0205 0.0589
Echinococcus granulosus follistatin 0.0042 0.0073 0.0211
Trichomonas vaginalis D-aminoacylase, putative 0.0237 0.1388 0.171
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0042 0.0073 0.0093
Onchocerca volvulus 0.0089 0.039 0.2718
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0103 0.0067
Loa Loa (eye worm) hypothetical protein 0.0237 0.1388 0.1763
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.088 0.1118
Trypanosoma brucei hypothetical protein, conserved 0.0237 0.1388 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0237 0.1388 0.1763
Brugia malayi RNA binding protein 0.0136 0.071 0.0902
Mycobacterium tuberculosis Probable esterase LipL 0.0237 0.1388 0.1148
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0042 0.0073 0.0529
Echinococcus granulosus snurportin 1 0.0333 0.2035 0.5836
Schistosoma mansoni tar DNA-binding protein 0.0136 0.071 0.0902
Trichomonas vaginalis glutaminase, putative 0.1198 0.7871 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0039 0.005 0.6019
Brugia malayi sodium-independent organic anion transporter family protein 0.0062 0.0205 0.0261
Loa Loa (eye worm) glutaminase 0.1198 0.7871 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0081 0.0039
Echinococcus granulosus lamin 0.0089 0.039 0.1119
Echinococcus granulosus chromobox protein 1 0.0077 0.0309 0.0886
Loa Loa (eye worm) hypothetical protein 0.0042 0.0073 0.0093
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0087
Onchocerca volvulus 0.0062 0.0205 0.1368
Plasmodium vivax hypothetical protein, conserved 0.0237 0.1388 1
Schistosoma mansoni transcription factor btf3 0.0039 0.005 0.0064
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0309 0.0331
Brugia malayi beta-lactamase family protein 0.0237 0.1388 0.1763
Onchocerca volvulus 0.0062 0.0205 0.1368
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0042 0.0073 0.0529
Leishmania major hypothetical protein, conserved 0.0237 0.1388 1
Schistosoma mansoni chromobox protein 0.0077 0.0309 0.0393
Loa Loa (eye worm) hypothetical protein 0.0042 0.0073 0.0093
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.011 0.0795
Loa Loa (eye worm) glutaminase 2 0.1198 0.7871 1
Loa Loa (eye worm) hypothetical protein 0.0246 0.1446 0.1837
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0128 0.0162
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0087
Mycobacterium ulcerans beta-lactamase 0.0237 0.1388 0.1469
Echinococcus multilocularis expressed protein 0.0042 0.0073 0.0211
Loa Loa (eye worm) hypothetical protein 0.0237 0.1388 0.1763
Schistosoma mansoni tar DNA-binding protein 0.0136 0.071 0.0902
Loa Loa (eye worm) beta-lactamase 0.0237 0.1388 0.1763
Schistosoma mansoni hypothetical protein 0.0058 0.0179 0.0227
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.011 0.0316
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0062 0.0205 0.0261
Brugia malayi sodium-independent organic anion transporter family protein 0.0062 0.0205 0.0261
Brugia malayi beta-lactamase family protein 0.0237 0.1388 0.1763
Echinococcus multilocularis chromobox protein 1 0.0077 0.0309 0.0886
Schistosoma mansoni hypothetical protein 0.005 0.0128 0.0162
Brugia malayi chromobox protein homolog 3 0.0043 0.0081 0.0103
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0237 0.1388 0.1763
Onchocerca volvulus 0.0062 0.0205 0.1368
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0.1388 1
Mycobacterium tuberculosis Probable lipase LipD 0.0237 0.1388 0.1148
Trypanosoma brucei beta lactamase 0.0071 0.0271 0.1953
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0042 0.0073 0.0093
Mycobacterium ulcerans lipase LipD 0.0237 0.1388 0.1469
Echinococcus multilocularis follistatin 0.0042 0.0073 0.0211
Echinococcus granulosus chromobox protein 1 0.0077 0.0309 0.0886
Trypanosoma brucei transcription factor BTF3, putative 0.0039 0.005 0.0362
Mycobacterium leprae Probable lipase LipE 0.0237 0.1388 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0237 0.1388 0.1763
Mycobacterium ulcerans glutaminase 0.1198 0.7871 1
Echinococcus multilocularis musashi 0.0089 0.039 0.1119
Onchocerca volvulus 0.0062 0.0205 0.1368
Brugia malayi SPARC precursor 0.0042 0.0073 0.0093
Plasmodium vivax basic transcription factor 3b, putative 0.0039 0.005 0.0362
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0042 0.0073 0.0093
Loa Loa (eye worm) intermediate filament protein 0.0089 0.039 0.0496
Schistosoma mansoni hypothetical protein 0.0333 0.2035 0.2586
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0042 0.0073 0.0093
Onchocerca volvulus 0.0062 0.0205 0.1368
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0042 0.0073 0.0093
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.0849 0.2435
Toxoplasma gondii NAC domain-containing protein 0.0039 0.005 0.0362
Onchocerca volvulus Putative organic anion transporter 0.0062 0.0205 0.1368
Mycobacterium tuberculosis Conserved protein 0.0237 0.1388 0.1148
Onchocerca volvulus 0.0237 0.1388 1
Loa Loa (eye worm) acetyltransferase 0.0162 0.088 0.1118
Onchocerca volvulus 0.0237 0.1388 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0237 0.1388 0.171
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0149 0.0792 0.0536
Echinococcus multilocularis transcription factor btf3 0.0039 0.005 0.0144
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0043 0.008 0.0228
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0084 1
Schistosoma mansoni hypothetical protein 0.0548 0.3487 0.4431
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.0863 0.5616 0.7033
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Loa Loa (eye worm) agrin synaptic family protein 0.0042 0.0073 0.0093
Schistosoma mansoni organic anion transporter 0.0062 0.0205 0.0261
Schistosoma mansoni tar DNA-binding protein 0.0136 0.071 0.0902
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0237 0.1388 0.1148
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0084 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.011 0.0795
Echinococcus multilocularis agrin 0.0042 0.0073 0.0211
Loa Loa (eye worm) hypothetical protein 0.0034 0.0018 0.0023
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0089 0.039 0.0496
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0103 0.0067
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0081 0.0459
Mycobacterium tuberculosis Probable hydrolase 0.0237 0.1388 0.1148
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0.1388 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0048 0.0111 0.0142
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.011 0.0077
Schistosoma mansoni tar DNA-binding protein 0.0136 0.071 0.0902
Loa Loa (eye worm) RNA binding protein 0.0136 0.071 0.0902
Schistosoma mansoni lamin 0.0089 0.039 0.0496
Brugia malayi Heterochromatin protein 1 0.0077 0.0309 0.0393
Brugia malayi prostaglandin transporter 0.0062 0.0205 0.0261
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.011 0.0795
Loa Loa (eye worm) hypothetical protein 0.0087 0.0379 0.0482
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0309 0.0331
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0237 0.1388 0.1763
Loa Loa (eye worm) hypothetical protein 0.0237 0.1388 0.1763
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0261
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0237 0.1388 0.1469
Schistosoma mansoni glutaminase 0.1198 0.7871 1
Echinococcus granulosus transcription factor btf3 0.0039 0.005 0.0144
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0042 0.0073 0.0529
Brugia malayi hypothetical protein 0.0062 0.0205 0.0261
Trichomonas vaginalis penicillin-binding protein, putative 0.0237 0.1388 0.171
Echinococcus granulosus lamin dm0 0.0089 0.039 0.1119
Schistosoma mansoni agrin 0.0042 0.0073 0.0093
Brugia malayi TAR-binding protein 0.0136 0.071 0.0902
Mycobacterium tuberculosis Conserved protein 0.0237 0.1388 0.1148
Onchocerca volvulus 0.005 0.0128 0.0801
Loa Loa (eye worm) hypothetical protein 0.0237 0.1388 0.1763
Schistosoma mansoni lamin 0.0089 0.039 0.0496
Brugia malayi secreted modular calcium-binding protein 1 0.0042 0.0073 0.0093
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0062 0.0205 0.0589
Toxoplasma gondii protease inhibitor PI2 0.0042 0.0073 0.0529
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0084 0.5
Schistosoma mansoni survival motor neuron protein 0.005 0.0128 0.0162
Echinococcus multilocularis geminin 0.0548 0.3487 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0043 0.008 0.0228
Trichomonas vaginalis D-aminoacylase, putative 0.0237 0.1388 0.171
Trichomonas vaginalis D-aminoacylase, putative 0.0237 0.1388 0.171
Brugia malayi hypothetical protein 0.0062 0.0205 0.0261
Brugia malayi beta-NAC-like protein 0.0039 0.005 0.0064
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0237 0.1388 0.1148
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.088 0.1118
Echinococcus granulosus beta LACTamase domain containing family member 0.0237 0.1388 0.398
Brugia malayi RNA, U transporter 1 0.0089 0.0388 0.0493
Schistosoma mansoni intermediate filament proteins 0.0089 0.039 0.0496
Mycobacterium tuberculosis Conserved protein 0.0237 0.1388 0.1148
Loa Loa (eye worm) hypothetical protein 0.0042 0.0073 0.0093
Mycobacterium ulcerans esterase/lipase LipP 0.0237 0.1388 0.1469
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0149 0.0792 0.0686

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.13 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.