TDR Targets

Basic information

Technical information

TDR Targets ID: 986540
Name: 4-[[5-amino-1-(3-pyrrol-1-ylthiophene-2-carbo nyl)-1,2,4-triazol-3-yl]amino]benzenesulfonam ide
MW: 429.476 | Formula: C17H15N7O3S2
H donors: 3 H acceptors: 5 LogP: 2.6 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(nn1C(=O)c1sccc1n1cccc1)Nc1ccc(cc1)S(=O)(=O)N
InChi: 1S/C17H15N7O3S2/c18-16-21-17(20-11-3-5-12(6-4-11)29(19,26)27)22-24(16)15(25)14-13(7-10-28-14)23-8-1-2-9-23/h1-10H,(H2,19,26,27)(H3,18,20,21,22)
InChiKey: HAWGHXJHNDVCGX-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

4-[[5-amino-1-[oxo-[3-(1-pyrrolyl)-2-thienyl]methyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
4-[[5-amino-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	erb-b2 receptor tyrosine kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597

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
Plasmodium vivax	glutathione reductase, putative	0.0064	0.1631	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.2127
Toxoplasma gondii	exonuclease III APE	0.002	0.0298	0.1829
Schistosoma mansoni	DNA helicase recq5	0.0021	0.0332	0.0619
Brugia malayi	Pre-SET motif family protein	0.0032	0.0661	0.0492
Treponema pallidum	NADH oxidase	0.0022	0.0357	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0661	0.4051
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0097	0.2627	0.4786
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0022	0.0357	1
Toxoplasma gondii	NADPH-glutathione reductase	0.0022	0.0357	0.2188
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.6512	0.6508
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0661	0.0745
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0021	0.0332	0.0319
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0022	0.0357	0.0439
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0357	0.0439
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0022	0.0357	0.006
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0058	0.1433	0.2332
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.0013	0.0381
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0022	0.0357	0.012
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0298	0.0286
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0332	0.0157
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0357	0.2127
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0332	0.2033
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.0013	0.0077
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0357	0.0439
Trypanosoma cruzi	trypanothione reductase, putative	0.0064	0.1631	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0661	0.0649
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0021	0.0332	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0121	0.3368	0.336
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0298	0.1765
Echinococcus multilocularis	bloom syndrome protein	0.0021	0.0332	0.0068
Brugia malayi	Thioredoxin reductase	0.0064	0.1631	0.148
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0661	0.1258
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0022	0.0357	0.012
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.2127
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0022	0.0357	0.0439
Echinococcus granulosus	epidermal growth factor receptor	0.018	0.5164	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0022	0.0357	0.0439
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0022	0.0357	0.5
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0064	0.1631	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0332	0.0249
Brugia malayi	Protein kinase domain containing protein	0.0121	0.3368	0.3249
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.0439
Brugia malayi	glutathione reductase	0.0064	0.1631	0.148
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0022	0.0357	0.0183
Echinococcus granulosus	bloom syndrome protein	0.0021	0.0332	0.0068
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0022	0.0357	0.0668
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0661	0.0745
Schistosoma mansoni	DNA helicase recq1	0.0021	0.0332	0.0619
Entamoeba histolytica	recQ family helicase, putative	0.0021	0.0332	1
Loa Loa (eye worm)	glutathione reductase	0.0064	0.1631	0.1621
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0013	0.0077
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0021	0.0332	0.0068
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0357	1
Plasmodium vivax	SET domain protein, putative	0.0032	0.0661	0.4051
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0357	0.2127
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0064	0.1631	0.274
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0021	0.0332	0.0249
Echinococcus multilocularis	epidermal growth factor receptor	0.018	0.5164	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0298	0.8998
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0332	0.0249
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0332	0.0046
Schistosoma mansoni	tyrosine kinase	0.018	0.5164	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.0021	0.0332	0.0034
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0058	0.1433	0.2332
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0022	0.0357	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0332	0.0319
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0357	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0332	0.0157
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0021	0.0332	0.0068
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0661	0.1258
Leishmania major	trypanothione reductase	0.0064	0.1631	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0022	0.0357	0.0439
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0298	0.1829
Echinococcus granulosus	thioredoxin glutathione reductase	0.0064	0.1631	0.274
Brugia malayi	Furin-like cysteine rich region family protein	0.018	0.5164	0.5076
Schistosoma mansoni	tyrosine kinase	0.0097	0.2627	0.5075
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0022	0.0357	0.0439
Echinococcus granulosus	epidermal growth factor receptor	0.0097	0.2627	0.4786
Trypanosoma cruzi	trypanothione reductase, putative	0.0022	0.0357	0.2127
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0661	0.1258
Schistosoma mansoni	ap endonuclease	0.002	0.0298	0.0555
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0625	0.0671
Toxoplasma gondii	thioredoxin reductase	0.0064	0.1631	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.2127
Brugia malayi	Fibroblast growth factor family protein	0.0339	1	1
Plasmodium falciparum	glutathione reductase	0.0064	0.1631	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0022	0.0357	0.0439
Loa Loa (eye worm)	thioredoxin reductase	0.0064	0.1631	0.1621
Loa Loa (eye worm)	TK/INSR protein kinase	0.0058	0.1433	0.1422
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.7456	1
Echinococcus granulosus	insulin receptor	0.0058	0.1433	0.2332
Trypanosoma brucei	trypanothione reductase	0.0064	0.1631	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.2127
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0022	0.0357	0.2188
Trichomonas vaginalis	mercuric reductase, putative	0.0022	0.0357	0.0082
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0298	0.1765
Brugia malayi	Bloom's syndrome protein homolog	0.0021	0.0332	0.0157
Loa Loa (eye worm)	TK/EGFR protein kinase	0.018	0.5164	0.5158
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0022	0.0357	0.2188
Echinococcus multilocularis	epidermal growth factor receptor	0.0097	0.2627	0.4786
Brugia malayi	Pre-SET motif family protein	0.0224	0.6512	0.6449
Giardia lamblia	Hypothetical protein	0.0339	1	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0022	0.0357	1
Loa Loa (eye worm)	hypothetical protein	0.0339	1	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0021	0.0332	0.0046
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0022	0.0357	0.2188
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0332	0.0046
Plasmodium falciparum	thioredoxin reductase	0.0064	0.1631	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.2127
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0022	0.0357	0.0439
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0332	0.197
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0298	0.83
Schistosoma mansoni	tyrosine kinase	0.0058	0.1433	0.2757
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.0439
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0022	0.0357	0.0439
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0332	0.2033
Plasmodium vivax	thioredoxin reductase, putative	0.0064	0.1631	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0332	0.0249
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0357	0.2127
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0661	0.0745
Loa Loa (eye worm)	hypothetical protein	0.0339	1	1
Echinococcus multilocularis	insulin receptor	0.0058	0.1433	0.2332
Plasmodium falciparum	glutathione reductase	0.0022	0.0357	0.0439
Schistosoma mansoni	tyrosine kinase	0.0096	0.2596	0.5015
Schistosoma mansoni	tyrosine kinase	0.0096	0.2596	0.5015
Schistosoma mansoni	tyrosine kinase	0.0058	0.1433	0.2757
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.00000000026858
Plasmodium falciparum	thioredoxin reductase	0.0022	0.0357	0.0439
Schistosoma mansoni	tyrosine kinase	0.0096	0.2596	0.5015
Echinococcus multilocularis		0.0056	0.1378	0.2219
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0022	0.0357	0.0439
Brugia malayi	Protein kinase domain containing protein	0.0058	0.1433	0.1278
Schistosoma mansoni	tyrosine kinase	0.0097	0.2627	0.5075
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0021	0.0332	0.0068
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0022	0.0357	0.5
Trichomonas vaginalis	glutathione reductase, putative	0.0022	0.0357	0.0082
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0022	0.0357	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0661	0.1258
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0298	0.0123
Loa Loa (eye worm)	RecQ helicase	0.0021	0.0332	0.0319
Onchocerca volvulus		0.0255	0.7456	1
Schistosoma mansoni	ap endonuclease	0.002	0.0298	0.0555

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 200 nM	Inhibition of HER2	ChEMBL.	18500794

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: CHEMBL483082

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 986540