TDR Targets

Basic information

Technical information

TDR Targets ID: 155322
Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyr azole-4-carboxamide
MW: 269.223 | Formula: C12H10F3N3O
H donors: 2 H acceptors: 2 LogP: 2.33 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1c[nH]nc1C)Nc1ccc(cc1)C(F)(F)F
InChi: 1S/C12H10F3N3O/c1-7-10(6-16-18-7)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChiKey: JOQWAJNWDBTRMY-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

3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazole-4-carboxamide

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
Brugia malayi	Probable ClpP-like protease	0.0835	0.2659	0.2659
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0835	0.2659	1
Schistosoma mansoni	hypothetical protein	0.0446	0.1238	0.3692
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0194	0.0316	0.0645
Leishmania major	hypothetical protein, conserved	0.0347	0.0875	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0547	0.1608	0.4744
Loa Loa (eye worm)	glutaminase	0.0274	0.0609	0.0609
Schistosoma mansoni	tar DNA-binding protein	0.093	0.3006	0.9589
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0835	0.2659	0.8794
Brugia malayi	Latrophilin receptor protein 2	0.0446	0.1238	0.1238
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0143	0.0131	0.0131
Brugia malayi	Smad1	0.0194	0.0316	0.0316
Echinococcus granulosus	mothers against decapentaplegic 5	0.0194	0.0316	0.0645
Brugia malayi	hypothetical protein	0.0347	0.0875	0.0875
Loa Loa (eye worm)	RNA binding protein	0.093	0.3006	0.3006
Onchocerca volvulus		0.0329	0.081	0.5
Loa Loa (eye worm)	hypothetical protein	0.0446	0.1238	0.1238
Brugia malayi	MH1 domain containing protein	0.0194	0.0316	0.0316
Brugia malayi	RNA binding protein	0.093	0.3006	0.3006
Brugia malayi	MH1 domain containing protein	0.0194	0.0316	0.0316
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	1
Brugia malayi	hypothetical protein	0.0224	0.0426	0.0426
Echinococcus multilocularis	smad	0.0194	0.0316	0.0645
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0446	0.1238	0.1238
Schistosoma mansoni	hypothetical protein	0.0446	0.1238	0.3692
Loa Loa (eye worm)	hypothetical protein	0.141	0.4759	0.4759
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0155	0.0177	0.0158
Trypanosoma brucei	PAB1-binding protein , putative	0.0347	0.0875	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.2844	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0347	0.0875	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.093	0.3006	0.3006
Schistosoma mansoni	smad	0.0194	0.0316	0.0618
Brugia malayi	hypothetical protein	0.0329	0.081	0.081
Loa Loa (eye worm)	MH2 domain-containing protein	0.0194	0.0316	0.0316
Brugia malayi	glutaminase DH11.1	0.0274	0.0609	0.0609
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0547	0.1608	0.5
Schistosoma mansoni	hypothetical protein	0.0964	0.3129	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0194	0.0316	0.0645
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	1
Schistosoma mansoni	glutaminase	0.0274	0.0609	0.1595
Brugia malayi	TAR-binding protein	0.093	0.3006	0.3006
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0143	0.0131	0.0131
Brugia malayi	RNA recognition motif domain containing protein	0.093	0.3006	0.3006
Schistosoma mansoni	smad1 5 8 and	0.0194	0.0316	0.0618
Plasmodium vivax	ataxin-2 like protein, putative	0.0347	0.0875	0.1078
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0194	0.0316	0.0618
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0446	0.1238	0.385
Schistosoma mansoni	hypothetical protein	0.0155	0.0177	0.0152
Trichomonas vaginalis	glutaminase, putative	0.0274	0.0609	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0964	0.3129	0.3129
Schistosoma mansoni	smad1 5 8 and	0.0194	0.0316	0.0618
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0547	0.1608	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0446	0.1238	0.385
Schistosoma mansoni	tar DNA-binding protein	0.093	0.3006	0.9589
Echinococcus multilocularis	GPCR, family 2	0.0446	0.1238	0.385
Loa Loa (eye worm)	hypothetical protein	0.0347	0.0875	0.0875
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0446	0.1238	0.385
Echinococcus multilocularis	tar DNA binding protein	0.093	0.3006	1
Schistosoma mansoni	tar DNA-binding protein	0.093	0.3006	0.9589
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0835	0.2659	0.8794
Schistosoma mansoni	peptidase Clp (S14 family)	0.0835	0.2659	0.8433
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.141	0.4759	0.4759
Trypanosoma cruzi	PAB1-binding protein , putative	0.0347	0.0875	0.5
Schistosoma mansoni	smad1 5 8 and	0.0194	0.0316	0.0618
Plasmodium falciparum	ataxin-2 like protein, putative	0.0347	0.0875	0.1078
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	1
Loa Loa (eye worm)	hypothetical protein	0.0964	0.3129	0.3129
Loa Loa (eye worm)	Smad1	0.0194	0.0316	0.0316
Plasmodium falciparum	ataxin-2 like protein, putative	0.0347	0.0875	0.1078
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0547	0.1608	0.5138
Echinococcus granulosus	Smad4	0.0194	0.0316	0.0645
Echinococcus granulosus	tar DNA binding protein	0.093	0.3006	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0835	0.2659	1
Schistosoma mansoni	hypothetical protein	0.0446	0.1238	0.3692
Brugia malayi	MH2 domain containing protein	0.0194	0.0316	0.0316
Loa Loa (eye worm)	TAR-binding protein	0.093	0.3006	0.3006
Echinococcus granulosus	smad	0.0194	0.0316	0.0645
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0835	0.2659	1
Echinococcus multilocularis	Smad4	0.0194	0.0316	0.0645
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0835	0.2659	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.141	0.4759	0.4759
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	0.5
Loa Loa (eye worm)	hypothetical protein	0.0329	0.081	0.081
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0155	0.0177	0.0158
Schistosoma mansoni	hypothetical protein	0.0446	0.1238	0.3692
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0446	0.1238	0.385
Echinococcus granulosus	GPCR family 2	0.0446	0.1238	0.385
Schistosoma mansoni	tar DNA-binding protein	0.093	0.3006	0.9589
Loa Loa (eye worm)	hypothetical protein	0.0835	0.2659	0.2659
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0446	0.1238	0.1238
Schistosoma mansoni	Smad4	0.0194	0.0316	0.0618
Brugia malayi	MH2 domain containing protein	0.0194	0.0316	0.0316
Loa Loa (eye worm)	MH1 domain-containing protein	0.0194	0.0316	0.0316
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0194	0.0316	0.0645
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0347	0.0875	0.1078
Echinococcus granulosus	peptidase Clp S14 family	0.0547	0.1608	0.5138
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.141	0.4759	0.4759
Loa Loa (eye worm)	MH2 domain-containing protein	0.2844	1	1
Schistosoma mansoni	tar DNA-binding protein	0.093	0.3006	0.9589
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0835	0.2659	1
Loa Loa (eye worm)	glutaminase 2	0.0274	0.0609	0.0609

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	< 20 %	Compound was tested for immunosuppressant activity in rat using mixed leukocyte response(MLR) at a concentration of 10 uM; Not active	ChEMBL.	9873623
Inhibition (functional)	< 20 %	Compound was tested for immunosuppressant activity using human mixed leukocyte response(HMLR) at a concentration of 10 uM; Not active	ChEMBL.	9873623
Inhibition (functional)	< 20 %	Compound was tested for immunosuppressant activity using human mixed leukocyte response(HMLR) at a concentration of 10 uM; Not active	ChEMBL.	9873623

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: CHEMBL319728
PubChem: 15908576

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 155322