TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 326.35 | Formula: C17H18N4O3
H donors: 2 H acceptors: 2 LogP: 3.57 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1ccc(o1)c1ccc(cc1)Nc1[nH]ccc1[N+](=O)[O-])C
InChi: 1S/C17H18N4O3/c1-20(2)11-14-7-8-16(24-14)12-3-5-13(6-4-12)19-17-15(21(22)23)9-10-18-17/h3-10,18-19H,11H2,1-2H3
InChiKey: YBFZUVTZSXFCMB-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

No synonyms found for this compound

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
Trypanosoma brucei	beta tubulin	0.0296	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0249	0.8407	0.788
Loa Loa (eye worm)	tubulin beta-4 chain	0.0296	1	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.5896	0.5896
Echinococcus multilocularis	tubulin alpha	0.0171	0.5761	0.5761
Echinococcus multilocularis	Tubulin beta 2C chain	0.0296	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0171	0.5761	0.4356
Trypanosoma cruzi	tubulin gamma chain	0.0171	0.5761	0.4356
Plasmodium vivax	tubulin alpha chain, putative	0.0249	0.8407	0.788
Echinococcus multilocularis	tubulin subunit beta	0.0296	1	1
Trypanosoma brucei	beta tubulin	0.0171	0.5761	0.4356
Trypanosoma brucei	alpha tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	alpha tubulin	0.0249	0.8407	0.8407
Echinococcus granulosus	tubulin alpha 1C chain	0.0249	0.8407	0.8407
Brugia malayi	Tubulin beta chain	0.0097	0.325	0.325
Entamoeba histolytica	tubulin alpha-1 chain	0.0249	0.8407	0.6601
Leishmania major	beta tubulin	0.0296	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0097	0.325	0.1013
Plasmodium falciparum	tubulin beta chain	0.0296	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0158	0.5315	0.5315
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0158	0.5315	0.5315
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0152	0.5135	0.3523
Schistosoma mansoni	hypothetical protein	0.0218	0.736	0.736
Schistosoma mansoni	tubulin subunit alpha	0.0249	0.8407	0.8407
Trypanosoma cruzi	epsilon tubulin, putative	0.0171	0.5761	0.4356
Echinococcus granulosus	Tubulin beta 2C chain	0.0296	1	1
Trypanosoma brucei	beta tubulin	0.0296	1	1
Echinococcus multilocularis	kelch ECH associated protein 1	0.0217	0.7339	0.7339
Trichomonas vaginalis	tubulin alpha chain, putative	0.0097	0.325	0.1013
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0296	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0249	0.8407	0.8407
Trichomonas vaginalis	tubulin beta chain, putative	0.0249	0.8407	0.788
Giardia lamblia	Gamma tubulin	0.0171	0.5761	0.4356
Brugia malayi	tubulin alpha-2 chain	0.0249	0.8407	0.8407
Leishmania major	beta tubulin	0.0296	1	1
Echinococcus multilocularis	beta tubulin	0.0296	1	1
Schistosoma mansoni	tubulin subunit beta	0.0296	1	1
Schistosoma mansoni	alpha tubulin	0.0249	0.8407	0.8407
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0074	0.2489	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0097	0.325	0.1013
Echinococcus multilocularis	peroxisome assembly protein 26	0.0249	0.8407	0.8407
Loa Loa (eye worm)	beta-tubulin	0.0296	1	1
Brugia malayi	beta-tubulin, identical	0.0296	1	1
Echinococcus multilocularis	beta tubulin	0.0296	1	1
Leishmania major	beta tubulin	0.0296	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0074	0.2489	0.2489
Echinococcus granulosus	tubulin alpha	0.0171	0.5761	0.5761
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0296	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0175	0.5896	0.5896
Plasmodium vivax	tubulin epsilon chain, putative	0.0171	0.5761	0.4356
Echinococcus granulosus	tubulin alpha chain	0.0249	0.8407	0.8407
Trypanosoma cruzi	beta tubulin, putative	0.0296	1	1
Leishmania major	beta tubulin	0.0296	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0249	0.8407	0.8407
Leishmania major	beta tubulin	0.0296	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0175	0.5896	0.5896
Schistosoma mansoni	tubulin subunit gamma	0.0171	0.5761	0.5761
Brugia malayi	Tubulin alpha-2 chain	0.0249	0.8407	0.8407
Leishmania major	beta tubulin	0.0296	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0249	0.8407	0.8407
Loa Loa (eye worm)	BEN-1 protein	0.0296	1	1
Echinococcus multilocularis	hypothetical protein	0.0249	0.8407	0.8407
Trypanosoma brucei	alpha tubulin	0.0249	0.8407	0.788
Loa Loa (eye worm)	tubulin beta-1 chain	0.0296	1	1
Trichomonas vaginalis	tubulin, putative	0.0097	0.325	0.1013
Trichomonas vaginalis	tubulin gamma chain, putative	0.0296	1	1
Trypanosoma brucei	epsilon tubulin	0.0171	0.5761	0.4356
Schistosoma mansoni	alpha tubulin	0.0249	0.8407	0.8407
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Leishmania major	gamma-tubulin	0.0171	0.5761	0.4356
Leishmania major	beta tubulin	0.0296	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0249	0.8407	0.8407
Echinococcus multilocularis	Tubulin beta 2C chain	0.0296	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0097	0.325	0.1013
Echinococcus granulosus	Tubulin beta 2C chain	0.0296	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0175	0.5896	0.4537
Loa Loa (eye worm)	BEN-1 protein	0.0296	1	1
Echinococcus granulosus	tubulin alpha chain	0.0249	0.8407	0.8407
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus multilocularis	tubulin delta chain	0.0074	0.2489	0.2489
Leishmania major	beta tubulin	0.0296	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0171	0.5761	0.4356
Trichomonas vaginalis	tubulin alpha chain, putative	0.0296	1	1
Plasmodium falciparum	tubulin gamma chain	0.0171	0.5761	0.4356
Trichomonas vaginalis	tubulin alpha chain, putative	0.0171	0.5761	0.4356
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	peroxisome assembly protein 26	0.0249	0.8407	0.8407
Loa Loa (eye worm)	tubulin alpha 2	0.0175	0.5896	0.5896
Brugia malayi	alpha-tubulin	0.0249	0.8407	0.8407
Brugia malayi	tubulin alpha chain - mouse	0.0249	0.8407	0.8407
Giardia lamblia	Beta tubulin	0.0296	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0296	1	1
Schistosoma mansoni	tubulin subunit beta	0.0296	1	1
Giardia lamblia	Alpha-tubulin	0.0249	0.8407	0.788
Leishmania major	beta tubulin	0.0296	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0296	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0249	0.8407	0.8407
Leishmania major	beta tubulin	0.0296	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0249	0.8407	0.8407
Echinococcus granulosus	tubulin delta chain	0.0074	0.2489	0.2489
Echinococcus multilocularis	kelch ECH associated protein 1	0.0217	0.7339	0.7339
Schistosoma mansoni	tubulin subunit beta	0.0296	1	1
Entamoeba histolytica	tubulin family protein	0.0296	1	1
Entamoeba histolytica	tubulin gamma chain	0.0171	0.5761	0.0952
Echinococcus multilocularis	Tubulin beta 2C chain	0.0296	1	1
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Giardia lamblia	Beta tubulin	0.0296	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0296	1	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0152	0.5135	0.5135
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0158	0.5315	0.5315
Leishmania major	beta tubulin	0.0296	1	1
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0217	0.7339	0.7339
Mycobacterium ulcerans	cell division protein FtsZ	0.0074	0.2489	0.5
Echinococcus granulosus	kelch ECH associated protein 1	0.0217	0.7339	0.7339
Leishmania major	beta tubulin	0.0296	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0296	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0249	0.8407	0.8407
Leishmania major	beta tubulin	0.0296	1	1
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	tubulin alpha chain	0.0249	0.8407	0.8407
Echinococcus granulosus	tubulin epsilon chain	0.0171	0.5761	0.5761
Echinococcus granulosus	tubulin alpha chain	0.0249	0.8407	0.8407
Schistosoma mansoni	alpha tubulin	0.0249	0.8407	0.8407
Giardia lamblia	Alpha-tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	Tubulin beta 2C chain	0.0296	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0249	0.8407	0.8407
Schistosoma mansoni	tubulin subunit beta	0.0296	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0249	0.8407	0.8407
Echinococcus multilocularis	Tubulin beta 2C chain	0.0296	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0249	0.8407	0.8407
Trypanosoma brucei	alpha tubulin	0.0249	0.8407	0.788
Schistosoma mansoni	tubulin subunit alpha	0.0249	0.8407	0.8407
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0249	0.8407	0.8407
Brugia malayi	Tubulin alpha chain	0.0249	0.8407	0.8407
Brugia malayi	Tubulin alpha chain	0.0074	0.2489	0.2489
Plasmodium falciparum	tubulin epsilon chain, putative	0.0171	0.5761	0.4356
Toxoplasma gondii	alpha-tubulin I, putative	0.0249	0.8407	0.788
Brugia malayi	Tubulin gamma chain	0.0171	0.5761	0.5761
Schistosoma mansoni	tubulin subunit alpha	0.0074	0.2489	0.2489
Trypanosoma brucei	epsilon tubulin	0.0171	0.5761	0.4356
Schistosoma mansoni	tubulin subunit beta	0.0074	0.2489	0.2489
Schistosoma mansoni	tubulin subunit epsilon	0.0171	0.5761	0.5761
Plasmodium vivax	tubulin gamma chain, putative	0.0171	0.5761	0.4356
Loa Loa (eye worm)	hypothetical protein	0.0152	0.5135	0.5135
Treponema pallidum	cell division protein FtsZ	0.0074	0.2489	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0296	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0249	0.8407	0.788
Schistosoma mansoni	tubulin subunit beta	0.0296	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0249	0.8407	0.788
Trypanosoma brucei	epsilon tubulin	0.0171	0.5761	0.4356
Echinococcus granulosus	Tubulin alpha 1 chain	0.0249	0.8407	0.8407
Toxoplasma gondii	alpha tubulin TUBA1	0.0249	0.8407	0.788
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus multilocularis	tubulin alpha chain	0.0249	0.8407	0.8407
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0249	0.8407	0.788
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Plasmodium vivax	tubulin beta chain, putative	0.0296	1	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0074	0.2489	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0249	0.8407	0.8407
Echinococcus granulosus	tubulin alpha 3 chain	0.0249	0.8407	0.8407
Onchocerca volvulus		0.0097	0.325	0.5
Schistosoma mansoni	tubulin subunit beta	0.0296	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0296	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0249	0.8407	0.8407
Entamoeba histolytica	tubulin family protein	0.0296	1	1
Giardia lamblia	Beta tubulin	0.0296	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0249	0.8407	0.8407
Plasmodium falciparum	alpha tubulin 2	0.0249	0.8407	0.788
Schistosoma mansoni	tubulin subunit delta	0.0074	0.2489	0.2489
Echinococcus multilocularis	tubulin epsilon chain	0.0171	0.5761	0.5761
Echinococcus multilocularis	Kelch repeat type 1	0.0218	0.736	0.736
Leishmania major	beta tubulin	0.0296	1	1
Leishmania major	epsilon tubulin, putative	0.0171	0.5761	0.4356
Brugia malayi	Cell division protein ftsZ	0.0074	0.2489	0.2489
Trypanosoma brucei	alpha tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	Tubulin alpha 1 chain	0.0249	0.8407	0.8407
Loa Loa (eye worm)	alpha-tubulin	0.0249	0.8407	0.8407
Trypanosoma cruzi	alpha tubulin, putative	0.0249	0.8407	0.788
Loa Loa (eye worm)	tubulin beta-2A chain	0.0296	1	1
Schistosoma mansoni	hypothetical protein	0.0158	0.5315	0.5315
Trichomonas vaginalis	tubulin gamma chain, putative	0.0171	0.5761	0.4356
Trichomonas vaginalis	tubulin beta chain, putative	0.0249	0.8407	0.788
Leishmania major	beta tubulin	0.0296	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0296	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0249	0.8407	0.788
Loa Loa (eye worm)	hypothetical protein	0.0249	0.8407	0.8407
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0249	0.8407	0.788
Leishmania major	beta tubulin	0.0296	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0078	0.2624	0.2624
Leishmania major	beta tubulin	0.0296	1	1
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	tubulin gamma 1 chain	0.0171	0.5761	0.5761
Echinococcus granulosus	tubulin beta 4A class IVa	0.0296	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0249	0.8407	0.8407
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus multilocularis	tubulin alpha chain	0.0249	0.8407	0.8407
Leishmania major	beta tubulin	0.0296	1	1
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Echinococcus granulosus	beta tubulin	0.0296	1	1
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0217	0.7339	0.7339
Trichomonas vaginalis	tubulin alpha chain, putative	0.0097	0.325	0.1013
Loa Loa (eye worm)	tubulin gamma chain	0.0171	0.5761	0.5761
Echinococcus granulosus	tubulin subunit beta	0.0296	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0171	0.5761	0.4356
Trichomonas vaginalis	tubulin, putative	0.0296	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0296	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0249	0.8407	0.8407
Leishmania major	alpha tubulin	0.0249	0.8407	0.788
Trypanosoma brucei	tubulin gamma chain	0.0171	0.5761	0.4356
Echinococcus granulosus	tubulin alpha chain	0.0249	0.8407	0.8407
Toxoplasma gondii	beta tubulin	0.0296	1	1
Brugia malayi	Tubulin beta chain	0.0074	0.2489	0.2489
Plasmodium vivax	tubulin alpha chain, putative	0.0249	0.8407	0.788
Mycobacterium leprae	cell division protein FtsZ	0.0074	0.2489	0.5
Entamoeba histolytica	tubulin alpha chain, putative	0.0249	0.8407	0.6601
Trypanosoma brucei	beta tubulin	0.0296	1	1
Trypanosoma brucei	alpha tubulin, putative	0.0097	0.325	0.1013
Plasmodium falciparum	alpha tubulin 1	0.0249	0.8407	0.788
Echinococcus granulosus	beta tubulin	0.0296	1	1
Trichomonas vaginalis	tubulin, putative	0.0097	0.325	0.1013
Trichomonas vaginalis	tubulin beta chain, putative	0.0249	0.8407	0.788
Toxoplasma gondii	beta-tubulin, putative	0.0296	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0249	0.8407	0.8407
Echinococcus granulosus	Tubulin alpha 1 chain	0.0249	0.8407	0.8407
Echinococcus multilocularis	tubulin alpha 1C chain	0.0249	0.8407	0.8407
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0249	0.8407	0.8407
Echinococcus granulosus	tubulin beta 1 chain	0.0296	1	1
Trypanosoma brucei	beta tubulin	0.0296	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0249	0.8407	0.8407
Brugia malayi	hypothetical protein	0.0158	0.5315	0.5315
Echinococcus multilocularis	tubulin gamma 1 chain	0.0171	0.5761	0.5761

Activities

Activity type	Activity value	Assay description	Source	Reference
-Log KB (functional)	< 4.3 %	In vitro Histamine H2 receptor antagonist activity in the histamine-stimulated guinea pig right atrium	ChEMBL.	2894467
-Log KB (functional)	< 4.3 %	In vitro Histamine H2 receptor antagonist activity in the histamine-stimulated guinea pig right atrium	ChEMBL.	2894467

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

No external resources registered 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.

Detailed information for compound 275343