TDR Targets

Basic information

Technical information

TDR Targets ID: 1541111
Name: 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamoth ioyl]benzamide
MW: 320.37 | Formula: C13H16N6O2S
H donors: 2 H acceptors: 4 LogP: 2.85 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1nnc(n1)NC(=S)NC(=O)c1ccccc1OC
InChi: 1S/C13H16N6O2S/c1-3-8-19-17-12(16-18-19)15-13(22)14-11(20)9-6-4-5-7-10(9)21-2/h4-7H,3,8H2,1-2H3,(H2,14,15,17,20,22)
InChiKey: VSOFBFIPORJNLJ-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

2-methoxy-N-[[(2-propyl-5-tetrazolyl)amino]-thioxomethyl]benzamide
2-methoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide
2-methoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide
ZINC00530948
STK248321

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1611	0.1953
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1008	0.0941
Schistosoma mansoni	thyroid hormone receptor	0.03	0.794	1
Brugia malayi	TAR-binding protein	0.0076	0.1611	0.3491
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1611	0.1548
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0286	0.0619
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1008	0.0941
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1008	0.1187
Echinococcus multilocularis	tumor protein p63	0.0373	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1611	0.1953
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0306	0.5
Schistosoma mansoni	lamin	0.003	0.0286	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0182	0.4614	1
Brugia malayi	nuclear hormone receptor	0.0022	0.0075	0.0162
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0286	0.0465
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0306	0.5
Echinococcus granulosus	lamin	0.003	0.0286	0.0213
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1008	0.0941
Onchocerca volvulus		0.0182	0.4614	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0075	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0988	0.2013
Onchocerca volvulus		0.0055	0.0988	0.2013
Brugia malayi	steroid hormone receptor	0.0022	0.0075	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0075	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0075	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0075	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0075	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1611	0.1953
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1611	0.1953
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0306	0.5
Schistosoma mansoni	hypothetical protein	0.0278	0.7308	0.9197
Schistosoma mansoni	hypothetical protein	0.0188	0.4758	0.5955
Brugia malayi	RNA binding protein	0.0076	0.1611	0.3491
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0075	0.0162
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0306	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0988	0.1162
Onchocerca volvulus		0.003	0.0286	0.0465
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0075	0.0162
Schistosoma mansoni	lamin	0.003	0.0286	0.0268
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0075	0.0162
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0075	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0029	0.027	0.0431
Echinococcus granulosus	intermediate filament protein	0.003	0.0286	0.0213
Brugia malayi	ecdysteroid receptor	0.0022	0.0075	0.0162
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0278	0.7308	0.7288
Echinococcus multilocularis	musashi	0.003	0.0286	0.0213
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1008	0.2186
Schistosoma mansoni	thyroid hormone receptor	0.03	0.794	1
Echinococcus multilocularis	lamin dm0	0.003	0.0286	0.0213
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1611	0.3384
Echinococcus multilocularis	thyroid hormone receptor alpha	0.03	0.794	0.7924
Brugia malayi	hypothetical protein	0.0182	0.4614	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0075	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1611	0.1953
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0075	0.0162
Leishmania major	hypothetical protein, conserved	0.003	0.0306	0.5
Brugia malayi	hypothetical protein	0.003	0.0306	0.0663
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0075	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0075	0.0162
Onchocerca volvulus		0.003	0.0286	0.0465
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0306	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0075	0.0162
Loa Loa (eye worm)	hypothetical protein	0.003	0.0286	0.0465
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0075	0.0162
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1611	0.3384
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1008	0.1187
Schistosoma mansoni	intermediate filament proteins	0.003	0.0286	0.0268
Schistosoma mansoni	hypothetical protein	0.0188	0.4758	0.5955
Echinococcus granulosus	geminin	0.0188	0.4758	0.4719
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0075	0.0162
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1008	0.2057
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1611	0.1548
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0278	0.7308	0.7288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1008	0.1187
Brugia malayi	intermediate filament protein	0.003	0.0286	0.0619
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1611	0.3491
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0075	0.0162
Echinococcus granulosus	lamin dm0	0.003	0.0286	0.0213
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0306	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0286	0.0465
Echinococcus multilocularis	lamin	0.003	0.0286	0.0213
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0306	0.5
Echinococcus multilocularis	geminin	0.0188	0.4758	0.4719
Loa Loa (eye worm)	hypothetical protein	0.003	0.0306	0.0509
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1008	0.0941
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1611	0.3384

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1900263

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 1541111