TDR Targets

Basic information

Technical information

TDR Targets ID: 1470936
Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1- yl]-6-nitroquinazoline
MW: 393.396 | Formula: C20H19N5O4
H donors: 0 H acceptors: 4 LogP: 2.94 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1ccc2c(c1)c(ncn2)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChi: 1S/C20H19N5O4/c26-25(27)15-2-3-17-16(10-15)20(22-12-21-17)24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)29-13-28-18/h1-4,9-10,12H,5-8,11,13H2
InChiKey: ACLOXKXBRPEZFT-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-nitro-quinazoline
4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-nitroquinazoline
BAS 07312337

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	epidermal growth factor receptor	0.0217	0.0962	0.1634
Echinococcus granulosus	semaphorin 1A	0.0274	0.1465	0.1465
Schistosoma mansoni	hypothetical protein	0.0274	0.1465	0.2874
Schistosoma mansoni	tyrosine kinase	0.0217	0.0962	0.1809
Loa Loa (eye worm)	hypothetical protein	0.0274	0.1465	0.2488
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.0108	0.5
Schistosoma mansoni	tyrosine kinase	0.0217	0.0962	0.1809
Loa Loa (eye worm)	hypothetical protein	0.012	0.0108	0.0183
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0438	0.2913	0.4855
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.0108	0.5
Loa Loa (eye worm)	hypothetical protein	0.0274	0.1465	0.2488
Brugia malayi	hypothetical protein	0.0274	0.1465	0.2348
Schistosoma mansoni	hypothetical protein	0.0381	0.2414	0.4885
Echinococcus multilocularis	insulin receptor	0.0146	0.0341	0.0579
Brugia malayi	Plexin repeat family protein	0.0655	0.4828	0.8169
Schistosoma mansoni	tyrosine kinase	0.0146	0.0341	0.0494
Onchocerca volvulus		0.0655	0.4828	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0366	0.2281	0.3875
Brugia malayi	hypothetical protein	0.0274	0.1465	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0274	0.1465	0.2488
Echinococcus multilocularis	exocyst complex component 2	0.012	0.0108	0.0183
Schistosoma mansoni	hypothetical protein	0.0274	0.1465	0.2874
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Brugia malayi	Furin-like cysteine rich region family protein	0.0366	0.2281	0.3761
Loa Loa (eye worm)	hypothetical protein	0.012	0.0108	0.0183
Loa Loa (eye worm)	plexin A	0.0775	0.5886	1
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Schistosoma mansoni	tyrosine kinase	0.0146	0.0341	0.0494
Loa Loa (eye worm)	hypothetical protein	0.012	0.0108	0.0183
Echinococcus multilocularis	hypothetical protein	0.0274	0.1465	0.2488
Echinococcus granulosus	transcription factor collier	0.012	0.0108	0.0108
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0217	0.0962	0.0962
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.0108	0.5
Schistosoma mansoni	plexin	0.0655	0.4828	1
Echinococcus multilocularis	plexin a4	0.0775	0.5886	1
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Echinococcus granulosus	plexin a4	0.0775	0.5886	0.5886
Loa Loa (eye worm)	hypothetical protein	0.0274	0.1465	0.2488
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0146	0.0341	0.0579
Schistosoma mansoni	tyrosine kinase	0.0172	0.0566	0.097
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0366	0.2281	0.2281
Echinococcus granulosus	epidermal growth factor receptor	0.0217	0.0962	0.0962
Loa Loa (eye worm)	hypothetical protein	0.012	0.0108	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0655	0.4828	0.8203
Entamoeba histolytica	protein kinase domain containing protein	0.0165	0.0504	1
Brugia malayi	Sema domain containing protein	0.0274	0.1465	0.2348
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0366	0.2281	0.3875
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Brugia malayi	Protein kinase domain containing protein	0.0146	0.0341	0.0403
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.0108	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Brugia malayi	plexin A	0.0775	0.5886	1
Schistosoma mansoni	semaphorin 5-related	0.0274	0.1465	0.2874
Onchocerca volvulus	Tyrosine kinase homolog	0.0358	0.2206	0.2203
Entamoeba histolytica	tyrosin kinase, putative	0.0165	0.0504	1
Schistosoma mansoni	tyrosine kinase	0.0172	0.0566	0.097
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0108	0.5
Loa Loa (eye worm)	TK/INSR protein kinase	0.0146	0.0341	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0274	0.1465	0.2488
Loa Loa (eye worm)	sema domain-containing protein	0.0274	0.1465	0.2488
Loa Loa (eye worm)	sema domain-containing protein	0.0274	0.1465	0.2488
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.0108	0.5
Brugia malayi	Sema domain containing protein	0.0274	0.1465	0.2348
Schistosoma mansoni	tyrosine kinase	0.0172	0.0566	0.097
Schistosoma mansoni	tyrosine kinase	0.0366	0.2281	0.4603
Loa Loa (eye worm)	hypothetical protein	0.0274	0.1465	0.2488
Echinococcus granulosus	exocyst complex component 2	0.012	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0381	0.2414	0.4101
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0146	0.0341	0.0341
Schistosoma mansoni	plexin	0.0381	0.2414	0.4885
Echinococcus multilocularis	semaphorin 5B	0.0274	0.1465	0.2488
Onchocerca volvulus		0.0299	0.1689	0.0666
Echinococcus multilocularis	transcription factor collier	0.012	0.0108	0.0183
Echinococcus granulosus	insulin receptor	0.0146	0.0341	0.0341
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0438	0.2913	0.4949
Echinococcus granulosus	semaphorin 5B	0.0274	0.1465	0.1465

Activities

No activities found for this compound.

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

ChEMBL: CHEMBL1623825

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1470936