TDR Targets

Basic information

Technical information

TDR Targets ID: 154146
Name: 3-(4-methylpiperazin-1-yl)quinoxaline-2-carbo nitrile
MW: 253.302 | Formula: C14H15N5
H donors: 0 H acceptors: 3 LogP: 1.53 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1nc2ccccc2nc1N1CCN(CC1)C
InChi: 1S/C14H15N5/c1-18-6-8-19(9-7-18)14-13(10-15)16-11-4-2-3-5-12(11)17-14/h2-5H,6-9H2,1H3
InChiKey: JFHLOMBLMXUBJF-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-(4-methyl-1-piperazinyl)-2-quinoxalinecarbonitrile
3-(4-methylpiperazino)quinoxaline-2-carbonitrile

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 multilocularis	muscleblind protein 1	0.0162	0.0865	0.206
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0095	0.0226
Mycobacterium leprae	PROBABLE HYDROLASE	0.0136	0.0703	0.0522
Echinococcus multilocularis	peregrin	0.0032	0.0054	0.0127
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0285	0.1633	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.003	0.0042	0.0101
Brugia malayi	Pre-SET motif family protein	0.003	0.0045	0.0014
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.003	0.0042	0.0101
Plasmodium falciparum	N-acetylglucosaminylphosphatidylinositol deacetylase, putative	0.0054	0.0191	0.4259
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0285	0.1633	0.3887
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.003	0.0042	0.0101
Schistosoma mansoni	hypothetical protein	0.0032	0.0054	0.0127
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.0267	0.6408
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0285	0.1633	0.3887
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0176	0.3823
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0095	0.0226
Loa Loa (eye worm)	matrix metalloproteinase	0.0112	0.0552	0.3193
Schistosoma mansoni	jumonji domain containing protein	0.0082	0.0369	0.0878
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0045	0.0106
Onchocerca volvulus		0.024	0.1348	0.9627
Plasmodium vivax	thioredoxin reductase, putative	0.0086	0.0392	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0285	0.1633	0.3887
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0267	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0176	0.0829
Schistosoma mansoni	N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase	0.0054	0.0191	0.0456
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0058	0.0218	0.0519
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0112	0.0552	0.1313
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0054	0.032
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0032	0.0054	0.0127
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0406	0.2383	0.5675
Toxoplasma gondii	N-acetylglucosaminylphosphatidylinositol deacetylase	0.0054	0.0191	0.4259
Brugia malayi	Uncharacterized LmbE-like protein, COG2120 containing protein	0.0054	0.0191	0.0937
Trypanosoma brucei	N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase	0.0054	0.0191	0.4259
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Plasmodium falciparum	thioredoxin reductase	0.0086	0.0392	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0054	0.0191	0.0155
Loa Loa (eye worm)	PHD-finger family protein	0.0032	0.0054	0.0056
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0176	0.3823
Mycobacterium tuberculosis	Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)	0.1577	0.9665	1
Brugia malayi	Matrixin family protein	0.0112	0.0552	0.3203
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0054	0.032
Loa Loa (eye worm)	glutathione reductase	0.0086	0.0392	0.219
Brugia malayi	Bromodomain containing protein	0.0032	0.0054	0.007
Brugia malayi	jmjC domain containing protein	0.0104	0.0501	0.2886
Brugia malayi	Matrixin family protein	0.0112	0.0552	0.3203
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0176	0.3823
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.0267	0.6408
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0038	0.009
Mycobacterium tuberculosis	Probable oxidoreductase	0.0218	0.1215	0.1219
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0176	0.3823
Brugia malayi	Matrixin family protein	0.027	0.1537	0.9399
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0054	0.0056
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0045	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0552	0.3193
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0218	0.1215	0.1044
Giardia lamblia	PHD finger protein 15	0.0032	0.0054	0.0068
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0285	0.1633	0.3887
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0095	0.0317
Giardia lamblia	Fructose-bisphosphate aldolase	0.0296	0.1696	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.0218	0.0519
Brugia malayi	hypothetical protein	0.0033	0.0063	0.013
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0285	0.1633	0.3887
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0196	0.1079	0.1077
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0176	0.3823
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.003	0.0042	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0267	0.0225
Mycobacterium tuberculosis	Probable reductase	0.0196	0.1079	0.1077
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0045	0.0106
Leishmania major	hypothetical protein, conserved	0.0051	0.0176	0.3823
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Onchocerca volvulus	Alhambra homolog	0.0032	0.0054	0.0066
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0248	0.1398	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0196	0.1079	0.0905
Brugia malayi	Thioredoxin reductase	0.0086	0.0392	0.2201
Echinococcus granulosus	microtubule associated protein 2	0.0698	0.42	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0552	0.3193
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0058	0.0218	0.5011
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0144	0.0755	0.0575
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.0218	0.0176
Echinococcus granulosus	muscleblind protein	0.0162	0.0865	0.206
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0267	0.0225
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0285	0.1633	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0045	0.0106
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0218	0.1215	0.1219
Mycobacterium tuberculosis	N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase)	0.0054	0.0191	0.0155
Leishmania major	trypanothione reductase	0.0086	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0552	0.3193
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0045	0.0106
Plasmodium falciparum	glutathione reductase	0.0086	0.0392	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.0218	0.0519
Schistosoma mansoni	hypothetical protein	0.0184	0.1001	0.2383
Echinococcus multilocularis	microtubule associated protein 2	0.0698	0.42	1
Mycobacterium ulcerans	N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB	0.0054	0.0191	0.015
Onchocerca volvulus	Matrilysin homolog	0.0112	0.0552	0.3746
Plasmodium vivax	SET domain protein, putative	0.003	0.0045	0.0064
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0095	0.0226
Mycobacterium ulcerans	hydrolase	0.0136	0.0703	0.0664
Loa Loa (eye worm)	thioredoxin reductase	0.0086	0.0392	0.219
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.0218	0.1103
Trypanosoma cruzi	N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative	0.0054	0.0191	0.4259
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0054	0.0191	0.0901
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0054	0.032
Schistosoma mansoni	microtubule-associated protein tau	0.0698	0.42	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0406	0.2383	0.5675
Onchocerca volvulus		0.0112	0.0552	0.3746
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0144	0.0755	0.0716
Trypanosoma cruzi	N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative	0.0054	0.0191	0.4259
Brugia malayi	Matrixin family protein	0.0112	0.0552	0.3203
Schistosoma mansoni	hypothetical protein	0.0158	0.0842	0.2005
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0213	0.1182	0.2813
Echinococcus multilocularis	N acetylglucosaminyl phosphatidylinositol	0.0054	0.0191	0.0456
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0285	0.1633	0.3887
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0703	0.4147
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.0193	0.0937
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.0267	0.0233
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.0218	0.0176
Brugia malayi	glutathione reductase	0.0086	0.0392	0.2201
Loa Loa (eye worm)	matrixin family protein	0.027	0.1537	0.9398
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.1167	0.7066
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.0267	0.0635
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0136	0.0703	0.0687
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0176	0.3823
Mycobacterium ulcerans	mycothiol conjugate amidase Mca	0.1631	1	1
Trichomonas vaginalis	set domain proteins, putative	0.024	0.1348	0.7892
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0042	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Brugia malayi	Hemopexin family protein	0.0158	0.0842	0.5029
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0865	0.5168
Onchocerca volvulus		0.0158	0.0842	0.5892
Echinococcus granulosus	thioredoxin glutathione reductase	0.0087	0.0396	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0865	0.5168
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0176	0.3823
Onchocerca volvulus	Matrilysin homolog	0.0248	0.1398	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0196	0.1079	0.1077
Brugia malayi	Pre-SET motif family protein	0.0211	0.1167	0.707
Brugia malayi	Muscleblind-like protein	0.0162	0.0865	0.5175
Brugia malayi	jmjC domain containing protein	0.0038	0.0095	0.0331
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0196	0.1079	0.1077
Trypanosoma cruzi	trypanothione reductase, putative	0.0086	0.0392	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.1696	1
Echinococcus granulosus	jumonji domain containing protein	0.0044	0.0131	0.0311
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0045	0.0106
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0045	0.0106
Brugia malayi	Matrixin family protein	0.0112	0.0552	0.3203
Plasmodium falciparum	phd finger protein, putative	0.0032	0.0054	0.032
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0267	0.0225
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0296	0.1696	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0296	0.1696	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0196	0.1079	0.1077
Trypanosoma brucei	trypanothione reductase	0.0086	0.0392	1
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0136	0.0703	0.4155
Toxoplasma gondii	thioredoxin reductase	0.0086	0.0392	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0032	0.0054	0.0127
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0104	0.0501	0.1194
Treponema pallidum	fructose-bisphosphate aldolase	0.0296	0.1696	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0086	0.0392	0.0364
Plasmodium vivax	glutathione reductase, putative	0.0086	0.0392	1
Echinococcus granulosus	geminin	0.0184	0.1001	0.2383
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0032	0.0054	0.0127
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0104	0.0501	0.1194
Loa Loa (eye worm)	matrixin family protein	0.0248	0.1398	0.8523
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0194	0.0942
Echinococcus granulosus	N acetylglucosaminyl phosphatidylinositol	0.0054	0.0191	0.0456
Plasmodium vivax	N-acetylglucosaminylphosphatidylinositol deacetylase, putative	0.0054	0.0191	0.4259
Echinococcus multilocularis	muscleblind protein	0.0162	0.0865	0.206
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0042	0.5
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0144	0.0755	0.0741
Giardia lamblia	Glucosamine-6-phosphate isomerase, putative	0.0054	0.0191	0.0901
Leishmania major	N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase	0.0054	0.0191	0.4259
Brugia malayi	hypothetical protein	0.0051	0.0176	0.0842
Mycobacterium tuberculosis	Probable dehydrogenase	0.0196	0.1079	0.1077
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0218	0.1215	0.1219
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.0267	0.0635
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0087	0.0396	0.0942
Echinococcus multilocularis	geminin	0.0184	0.1001	0.2383
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0267	0.0635
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0095	0.0226
Echinococcus multilocularis	jumonji domain containing protein	0.0044	0.0131	0.0311
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.0263	0.1376
Echinococcus granulosus	peregrin	0.0032	0.0054	0.0127
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0285	0.1633	0.3887
Brugia malayi	PHD-finger family protein	0.0032	0.0054	0.007
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.0218	0.0182
Loa Loa (eye worm)	phosphatidylinositol glycan anchor biosynthesis protein	0.0054	0.0191	0.0925
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0045	0.0064
Schistosoma mansoni	hypothetical protein	0.0184	0.1001	0.2383

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 48.4 %	Tested for the antagonistic activity against 5-hydroxytryptamine 3 receptor from guinea pig ileum	ChEMBL.	8410988
Inhibition (functional)	= 48.4 %	Tested for the antagonistic activity against 5-hydroxytryptamine 3 receptor from guinea pig ileum	ChEMBL.	8410988

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

PubChem: 10243982

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 154146