TDR Targets

Basic information

Technical information

TDR Targets ID: 1703829
Name: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroi ndazol-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
MW: 378.471 | Formula: C21H26N6O
H donors: 1 H acceptors: 4 LogP: 2.55 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1CCCc2c1cnn2c1cc(C)cc(c1)C)CCCn1cncn1
InChi: 1S/C21H26N6O/c1-15-9-16(2)11-17(10-15)27-20-6-3-5-19(18(20)12-23-27)25-21(28)7-4-8-26-14-22-13-24-26/h9-14,19H,3-8H2,1-2H3,(H,25,28)
InChiKey: HGELGDVYLXKVJC-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-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(1,2,4-triazol-1-yl)butyramide

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	dihydrofolate reductase	0.0045	0.0159	0.0887
Echinococcus multilocularis	dihydrofolate reductase	0.0045	0.0159	0.0887
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0297	0.168
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0175	0.0511
Trichomonas vaginalis	thymidine kinase, putative	0.1045	0.8442	1
Schistosoma mansoni	hypothetical protein	0.0165	0.1151	0.6578
Echinococcus multilocularis	transfer RNA-Ile	0.0237	0.1748	1
Brugia malayi	hypothetical protein	0.0431	0.3353	1
Loa Loa (eye worm)	runx1	0.0054	0.0234	0.0698
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0155	0.1071	0.5
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0155	0.1071	0.1034
Brugia malayi	dihydrofolate reductase family protein	0.0045	0.0159	0.0462
Schistosoma mansoni	hypothetical protein	0.0165	0.1151	0.6578
Entamoeba histolytica	thymidine kinase, putative	0.1045	0.8442	0.5
Mycobacterium ulcerans	thymidylate synthase	0.011	0.0699	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0297	0.0875
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0237	0.1748	1
Brugia malayi	RNA binding protein	0.0062	0.0297	0.0875
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0297	0.168
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0297	0.168
Loa Loa (eye worm)	thymidylate synthase	0.011	0.0699	0.2084
Onchocerca volvulus		0.0431	0.3353	1
Trypanosoma brucei	thymidine kinase	0.1045	0.8442	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0155	0.1071	0.5
Brugia malayi	thymidylate synthase	0.011	0.0699	0.2075
Trypanosoma cruzi	thymidine kinase, putative	0.1045	0.8442	1
Echinococcus granulosus	thymidylate synthase	0.011	0.0699	0.3985
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0175	0.0982
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0297	0.168
Schistosoma mansoni	dihydrofolate reductase	0.0045	0.0159	0.0887
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.011	0.0699	1
Onchocerca volvulus		0.011	0.0699	0.2075
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0155	0.1071	0.5
Echinococcus multilocularis	thymidine kinase	0.0237	0.1748	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0297	0.0885
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0004	0.0012
Chlamydia trachomatis	dihydrofolate reductase	0.0045	0.0159	0.5
Schistosoma mansoni	thymidine kinase	0.0237	0.1748	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0297	0.168
Schistosoma mansoni	lozenge	0.0054	0.0234	0.132
Brugia malayi	Dihydrofolate reductase	0.0045	0.0159	0.0462
Onchocerca volvulus		0.0047	0.0175	0.0511
Trichomonas vaginalis	thymidine kinase, putative	0.1045	0.8442	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0297	0.168
Trypanosoma cruzi	thymidine kinase, putative	0.1045	0.8442	1
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.1691	0.9673
Echinococcus multilocularis	Protein lozenge	0.0054	0.0234	0.132
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.011	0.0699	0.3985
Loa Loa (eye worm)	dihydrofolate reductase	0.0045	0.0159	0.0473
Trichomonas vaginalis	thymidine kinase, putative	0.1045	0.8442	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.011	0.0699	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0004	0.0012
Brugia malayi	hypothetical protein	0.0052	0.0221	0.0647
Echinococcus granulosus	thymidine kinase	0.0237	0.1748	1
Brugia malayi	hypothetical protein	0.023	0.1691	0.5037
Echinococcus multilocularis	geminin	0.0165	0.1151	0.6578
Mycobacterium tuberculosis	Hypothetical protein	0.0052	0.0221	0.1148
Echinococcus multilocularis	thymidylate synthase	0.011	0.0699	0.3985
Loa Loa (eye worm)	hypothetical protein	0.023	0.1691	0.5042
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0297	0.168
Loa Loa (eye worm)	hypothetical protein	0.0431	0.3353	1
Schistosoma mansoni	hypothetical protein	0.0101	0.0626	0.3568
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0297	0.0885
Echinococcus granulosus	thymidine kinase	0.0237	0.1748	1
Brugia malayi	TAR-binding protein	0.0062	0.0297	0.0875
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0004	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0431	0.3353	1
Echinococcus multilocularis	thymidine kinase	0.0237	0.1748	1
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.1691	0.9673
Leishmania major	thymidine kinase, putative	0.1045	0.8442	1
Echinococcus granulosus	geminin	0.0165	0.1151	0.6578
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0297	0.0885
Schistosoma mansoni	hypothetical protein	0.0047	0.0175	0.0982

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	35.4813 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

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: CHEMBL2142476

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1703829