TDR Targets

Basic information

Technical information

TDR Targets ID: 1367675
Name: (2,3-dimethyl-1H-indol-5-yl)-(4-pyridin-2-ylp iperazin-1-yl)methanone
MW: 334.415 | Formula: C20H22N4O
H donors: 1 H acceptors: 2 LogP: 3.13 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc2c(c1)c(C)c([nH]2)C)N1CCN(CC1)c1ccccn1
InChi: 1S/C20H22N4O/c1-14-15(2)22-18-7-6-16(13-17(14)18)20(25)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13,22H,9-12H2,1-2H3
InChiKey: FSCYSUHFSBVCIK-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

(2,3-dimethyl-1H-indol-5-yl)-[4-(2-pyridyl)piperazin-1-yl]methanone
(2,3-dimethyl-1H-indol-5-yl)-[4-(2-pyridyl)-1-piperazinyl]methanone
T5817806

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	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
Echinococcus granulosus	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
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-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
Brugia malayi	RNA 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
Brugia malayi	RNA recognition motif domain containing 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 multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.1063	0.4411
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2972	0.2972
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0236	0.0243
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0013	0.066	0.264
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.1063	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Trichomonas vaginalis	glutathione reductase, putative	0.0013	0.066	0.2398
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0013	0.066	0.264
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	1	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.5845	0.8955
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.4047	0.4047
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.1063	0.3866
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.2751	1
Echinococcus multilocularis	zinc finger protein	0.0005	0.0099	0.0099
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0004	0.0019	0.0069
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0013	0.066	0.2398
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0013	0.066	0.5
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0013	0.066	0.2736
Plasmodium vivax	glutathione reductase, putative	0.0037	0.2411	0.8765
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0192	0.0698
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.1063	1
Treponema pallidum	NADH oxidase	0.0013	0.066	0.6204
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0192	0.0698
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2972	0.2972
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.1063	0.4411
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0192	0.0698
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.1063	0.1063
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.1063	0.4255
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.6527	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5275	0.5275
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.5845	0.8955
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0192	0.0698
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0361	0.0361
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0192	0.0698
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.2499	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.1063	0.1063
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0192	0.0698
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.066	0.066
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.2751	0.2832
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.2447	0.2519
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Brugia malayi	glutathione reductase	0.0037	0.2411	0.2411
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2972	0.2972
Trichomonas vaginalis	helicase, putative	0.0006	0.0192	0.0698
Trichomonas vaginalis	mercuric reductase, putative	0.0013	0.066	0.2398
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.5275	0.5275
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0192	0.0698
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.5845	0.8955
Onchocerca volvulus		0.0028	0.1766	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.1063	0.4255
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.2411	0.3694
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.066	0.0679
Schistosoma mansoni	ap endonuclease	0.0018	0.1063	0.1063
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0361	0.0371
Plasmodium falciparum	thioredoxin reductase	0.0037	0.2411	0.9647
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.066	0.066
Plasmodium falciparum	thioredoxin reductase	0.0013	0.066	0.264
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.1063	0.1095
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.1063	0.4411
Trypanosoma brucei	trypanothione reductase	0.0037	0.2411	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0009	0.0413	0.0413
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2972	0.2972
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0013	0.066	0.2736
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.3838	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0009	0.0413	0.0413
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.2751	0.7168
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0099	0.0099
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.1063	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0013	0.066	0.2398
Schistosoma mansoni	ap endonuclease	0.0018	0.1063	0.1063
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.2499	1
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0361	0.0361
Brugia malayi	PHD-finger family protein	0.0005	0.0099	0.0099
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2972	0.2972
Leishmania major	trypanothione reductase	0.0037	0.2411	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.6527	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.5275	0.5275
Schistosoma mansoni	cpg binding protein	0.0028	0.1766	0.1766
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2972	0.2972
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.9712	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.2751	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.5275	0.5275
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0023	0.0023
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0013	0.066	0.2736
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.2411	0.8765
Echinococcus granulosus	tar DNA binding protein	0.0076	0.5275	0.5432
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.5845	0.8955
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0005	0.0099	0.0099
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0013	0.066	0.2736
Toxoplasma gondii	thioredoxin reductase	0.0037	0.2411	0.6283
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Toxoplasma gondii	exonuclease III APE	0.0018	0.1063	0.2771
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0013	0.066	0.264
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0099	0.0099
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2972	0.306
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0236	0.0236
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0005	0.0099	0.0102
Schistosoma mansoni	cpg binding protein	0.003	0.1882	0.1882
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0013	0.066	0.2736
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1766	0.1766
Plasmodium falciparum	glutathione reductase	0.0037	0.2411	0.9647
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.2751	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.1063	0.3866
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.2751	0.7168
Loa Loa (eye worm)	glutathione reductase	0.0037	0.2411	0.2411
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5275	0.5275
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.2499	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0013	0.066	0.066
Plasmodium vivax	SET domain containing protein	0.0004	0.0027	0.0098
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0013	0.066	0.1011
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0013	0.066	0.2736
Mycobacterium tuberculosis	Probable reductase	0.0084	0.5845	0.8955
Brugia malayi	RNA binding protein	0.0076	0.5275	0.5275
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5275	0.5275
Brugia malayi	Bromodomain containing protein	0.0005	0.0099	0.0099
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5275	0.5275
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0013	0.066	0.2736
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0352	0.0352
Echinococcus granulosus	cpg binding protein	0.003	0.1882	0.1938
Brugia malayi	Thioredoxin reductase	0.0037	0.2411	0.2411
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1766	0.1766
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.1063	0.4255
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.6527	1
Echinococcus granulosus	zinc finger protein	0.0005	0.0099	0.0102
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.5275	0.5275
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0099	0.0099
Brugia malayi	TAR-binding protein	0.0076	0.5275	0.5275
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.1063	0.1063
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0236	0.0236
Trypanosoma cruzi	trypanothione reductase, putative	0.0013	0.066	0.2736
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5275	0.5275
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.1063	0.1629
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.1063	0.3866
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0013	0.066	0.2736
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0236	0.0236
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.2411	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0099	0.0099
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.1063	0.4411
Echinococcus multilocularis	cpg binding protein	0.003	0.1882	0.1882
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0013	0.066	0.2736
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.2447	0.2447
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.6527	1
Loa Loa (eye worm)	acetyltransferase	0.0142	1	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0013	0.066	0.1719
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0192	0.0698
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0192	0.0698
Loa Loa (eye worm)	RNA binding protein	0.0076	0.5275	0.5275
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2972	0.2972
Schistosoma mansoni	zinc finger protein	0.0005	0.0099	0.0099
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.2411	0.2411
Plasmodium falciparum	glutathione reductase	0.0013	0.066	0.264
Schistosoma mansoni	cpg binding protein	0.003	0.1882	0.1882
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0236	0.0243
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2972	0.306
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0004	0.0019	0.0069
Toxoplasma gondii	NADPH-glutathione reductase	0.0013	0.066	0.1719
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.5845	0.8955

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	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: CHEMBL1490981

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 1367675