TDR Targets

Basic information

Technical information

TDR Targets ID: 1396870
Name: N-tert-butyl-2-[5-(4-chlorophenyl)tetrazol-2- yl]acetamide
MW: 293.752 | Formula: C13H16ClN5O
H donors: 1 H acceptors: 4 LogP: 2.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(C)(C)C)Cn1nnc(n1)c1ccc(cc1)Cl
InChi: 1S/C13H16ClN5O/c1-13(2,3)15-11(20)8-19-17-12(16-18-19)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,20)
InChiKey: MSTZZCRJRPCERH-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

N-tert-butyl-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide
N-tert-butyl-2-[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
STOCK6S-09871
SMR000065438
MLS000058249
ZINC03410291

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 granulosus	tubulin alpha chain	0.0078	0.3598	1
Brugia malayi	beta-tubulin, identical	0.007	0.2831	0.2781
Loa Loa (eye worm)	alpha-tubulin	0.0078	0.3598	0.3598
Echinococcus multilocularis	hypothetical protein	0.0078	0.3598	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Trypanosoma brucei	beta tubulin	0.007	0.2831	0.7825
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.007	0.0193
Echinococcus granulosus	Tubulin alpha 1 chain	0.0078	0.3598	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.007	0.2831	0.7867
Echinococcus granulosus	peroxisome assembly protein 26	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.3176	0.4504
Trypanosoma brucei	epsilon tubulin	0.007	0.2831	0.7825
Echinococcus granulosus	tubulin alpha 1C chain	0.0078	0.3598	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.3176	0.5
Loa Loa (eye worm)	tubulin alpha 2	0.0048	0.0837	0.0837
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.3176	0.4504
Echinococcus granulosus	tubulin alpha chain	0.0078	0.3598	1
Loa Loa (eye worm)	tubulin beta chain	0.007	0.2831	0.2831
Brugia malayi	tubulin alpha-2 chain	0.0078	0.3598	0.3553
Loa Loa (eye worm)	tubulin beta-2A chain	0.007	0.2831	0.2831
Trypanosoma brucei	tubulin gamma chain	0.007	0.2831	0.7825
Echinococcus granulosus	tubulin subunit TubB	0.0078	0.3598	1
Trypanosoma brucei	alpha tubulin	0.0078	0.3598	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0048	0.0837	0.2326
Echinococcus granulosus	tubulin alpha 1C chain	0.0078	0.3598	1
Trypanosoma brucei	epsilon tubulin	0.007	0.2831	0.7825
Echinococcus granulosus	tubulin alpha chain	0.0078	0.3598	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0078	0.3598	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3176	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.3176	0.4504
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0039	0.007	0.0193
Echinococcus granulosus	Tubulin alpha 1 chain	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Trypanosoma brucei	alpha tubulin	0.0078	0.3598	1
Loa Loa (eye worm)	BEN-1 protein	0.007	0.2831	0.2831
Loa Loa (eye worm)	tubulin alpha chain	0.0078	0.3598	0.3598
Trichomonas vaginalis	tubulin beta chain, putative	0.007	0.2831	0.7867
Entamoeba histolytica	tubulin alpha chain, putative	0.0078	0.3598	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.007	0.2831	0.7867
Trypanosoma brucei	beta tubulin	0.007	0.2831	0.7825
Echinococcus multilocularis	tubulin alpha chain	0.0078	0.3598	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Plasmodium vivax	tubulin alpha chain, putative	0.0078	0.3598	1
Schistosoma mansoni	tubulin subunit alpha	0.0078	0.3598	1
Brugia malayi	Tubulin gamma chain	0.007	0.2831	0.2781
Trypanosoma brucei	alpha tubulin	0.0078	0.3598	1
Trypanosoma brucei	beta tubulin	0.007	0.2831	0.7825
Leishmania major	alpha tubulin	0.0078	0.3598	1
Schistosoma mansoni	alpha tubulin	0.0078	0.3598	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0078	0.3598	1
Trichomonas vaginalis	tubulin, putative	0.0039	0.007	0.0193
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	0.3598	1
Plasmodium vivax	tubulin alpha chain, putative	0.0078	0.3598	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0078	0.3598	1
Echinococcus multilocularis	tubulin alpha chain	0.0078	0.3598	1
Loa Loa (eye worm)	BEN-1 protein	0.007	0.2831	0.2831
Brugia malayi	Tubulin alpha-2 chain	0.0078	0.3598	0.3553
Trichomonas vaginalis	tubulin epsilon chain, putative	0.007	0.2831	0.7867
Leishmania major	alpha tubulin	0.0078	0.3598	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0078	0.3598	1
Loa Loa (eye worm)	tubulin alpha 2	0.0048	0.0837	0.0837
Echinococcus granulosus	alpha tubulin	0.0078	0.3598	1
Loa Loa (eye worm)	tubulin gamma chain	0.007	0.2831	0.2831
Echinococcus multilocularis	tubulin alpha chain	0.0078	0.3598	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0078	0.3598	1
Trypanosoma brucei	beta tubulin	0.007	0.2831	0.7825
Brugia malayi	Tubulin alpha chain	0.0078	0.3598	0.3553
Brugia malayi	tubulin alpha chain - mouse	0.0078	0.3598	0.3553
Leishmania major	alpha tubulin	0.0078	0.3598	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Brugia malayi	Tubulin beta-1 chain	0.007	0.2831	0.2781
Echinococcus multilocularis	tubulin alpha 3 chain	0.0078	0.3598	1
Schistosoma mansoni	tubulin subunit alpha	0.0078	0.3598	1
Trichomonas vaginalis	tubulin, putative	0.007	0.2831	0.7867
Echinococcus multilocularis	tubulin alpha 3 chain	0.0078	0.3598	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0078	0.3598	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0039	0.007	0.0193
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.3598	1
Giardia lamblia	Alpha-tubulin	0.0078	0.3598	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.3176	0.4504
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3176	0.5
Giardia lamblia	Alpha-tubulin	0.0078	0.3598	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.3598	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.007	0.2831	0.2831
Loa Loa (eye worm)	alpha-tubulin	0.0078	0.3598	0.3598
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.3176	0.4504
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.3176	0.4504
Trichomonas vaginalis	tubulin epsilon chain, putative	0.007	0.2831	0.7867
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0078	0.3598	0.3598
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.007	0.0193
Trichomonas vaginalis	tubulin gamma chain, putative	0.007	0.2831	0.7867
Trypanosoma brucei	epsilon tubulin	0.007	0.2831	0.7825
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.3598	1
Trypanosoma brucei	alpha tubulin	0.0078	0.3598	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.007	0.2831	0.7867
Leishmania major	alpha tubulin	0.0078	0.3598	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0078	0.3598	1
Loa Loa (eye worm)	tubulin alpha chain	0.0078	0.3598	0.3598
Loa Loa (eye worm)	tubulin beta-1 chain	0.007	0.2831	0.2831
Toxoplasma gondii	alpha-tubulin I, putative	0.0078	0.3598	1
Trichomonas vaginalis	tubulin, putative	0.0039	0.007	0.0193
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3176	0.5
Trypanosoma brucei	beta tubulin	0.007	0.2831	0.7825
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0837	0.0837
Echinococcus multilocularis	tubulin alpha chain	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Brugia malayi	Tubulin alpha-2 chain	0.0078	0.3598	0.3553
Echinococcus granulosus	tubulin alpha chain	0.0078	0.3598	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.007	0.2831	0.7867
Schistosoma mansoni	alpha tubulin	0.0078	0.3598	1
Echinococcus multilocularis	tubulin subunit TubB	0.0078	0.3598	1
Schistosoma mansoni	alpha tubulin	0.0078	0.3598	1
Plasmodium falciparum	alpha tubulin 1	0.0078	0.3598	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0078	0.3598	1
Echinococcus granulosus	tubulin alpha chain	0.0078	0.3598	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0048	0.0837	0.0837
Entamoeba histolytica	tubulin alpha-1 chain	0.0078	0.3598	1
Schistosoma mansoni	tubulin subunit alpha	0.0078	0.3598	1
Plasmodium falciparum	alpha tubulin 2	0.0078	0.3598	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.3598	1
Echinococcus multilocularis	tubulin alpha chain	0.0078	0.3598	1
Brugia malayi	alpha-tubulin	0.0078	0.3598	0.3553
Loa Loa (eye worm)	hypothetical protein	0.0078	0.3598	0.3598
Loa Loa (eye worm)	beta-tubulin	0.007	0.2831	0.2831
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.007	0.0193
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0078	0.3598	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.3598	1
Leishmania major	alpha tubulin	0.0078	0.3598	1
Trypanosoma cruzi	alpha tubulin, putative	0.0078	0.3598	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1521166

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1396870