TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.303 | Formula: C16H27IN2
H donors: 0 H acceptors: 0 LogP: 4.47 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C.[I-]
InChi: 1S/C16H27N2.HI/c1-3-4-5-6-12-18-13-7-9-15(14-18)16-10-8-11-17(16)2;/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3;1H/q+1;/p-1/t16-;/m0./s1
InChiKey: PNSGGPGLBRMWEY-NTISSMGPSA-M

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

No synonyms found for this compound

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	Thioredoxin reductase	0.0087	0.0794	0.2185
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0104	0.1015	0.23
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0166	0.1831	0.4299
Onchocerca volvulus		0.0104	0.1015	0.2707
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0199	0.2261	0.8858
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0292	0.3489	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.056	0.0516
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0095	0.0891	0.0849
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.003	0.0046	0.0108
Mycobacterium tuberculosis	Probable dehydrogenase	0.0199	0.2261	0.8858
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.056	0.2194
Onchocerca volvulus		0.0271	0.3202	0.9156
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.003	0.0046	0.0221
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0104	0.1015	0.0974
Plasmodium vivax	glutathione reductase, putative	0.0087	0.0794	0.2276
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0166	0.1831	0.4299
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0097	0.0051
Echinococcus multilocularis	ring and YY1 binding protein	0.0104	0.1015	0.0974
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0292	0.3489	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1015	0.2826
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0087	0.0794	0.3111
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.003	0.0046	0.0132
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0095	0.0891	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0928	0.2573
Trypanosoma cruzi	WLM domain containing protein, putative	0.0104	0.1015	0.23
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.003	0.0046	0.0221
Echinococcus multilocularis	SWI:SNF matrix associated	0.0292	0.3489	0.3459
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0104	0.1015	0.2826
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0097	0.0051
Plasmodium vivax	SET domain protein, putative	0.0034	0.0097	0.0278
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0292	0.3489	0.3459
Schistosoma mansoni	RNA binding protein	0.0104	0.1015	0.0974
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.056	0.2696
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1015	0.2826
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0097	0.0051
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0049	0.0297	0.0597
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0221	0.2552	1
Brugia malayi	glutathione reductase	0.0087	0.0794	0.2185
Brugia malayi	jmjC domain containing protein	0.0067	0.0531	0.1424
Onchocerca volvulus		0.0292	0.3489	1
Toxoplasma gondii	thioredoxin reductase	0.0087	0.0794	0.2276
Mycobacterium tuberculosis	Probable oxidoreductase	0.0221	0.2552	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0104	0.1015	0.2826
Schistosoma mansoni	hypothetical protein	0.0095	0.0891	0.0849
Echinococcus granulosus	thioredoxin glutathione reductase	0.0088	0.0809	0.0767
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0104	0.1015	0.2383
Onchocerca volvulus		0.0104	0.1015	0.2707
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0292	0.3489	0.3459
Trypanosoma cruzi	hypothetical protein, conserved	0.0104	0.1015	0.23
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1015	0.2826
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.056	0.2696
Schistosoma mansoni	hypothetical protein	0.0292	0.3489	0.3459
Plasmodium vivax	hypothetical protein, conserved	0.0292	0.3489	1
Leishmania major	trypanothione reductase	0.0087	0.0794	0.1864
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.0531	0.0488
Brugia malayi	jmjC domain containing protein	0.0067	0.0531	0.1424
Plasmodium falciparum	glutathione reductase	0.0087	0.0794	0.2276
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0351	0.4259	1
Loa Loa (eye worm)	glutathione reductase	0.0087	0.0794	0.2185
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.003	0.0046	0.0132
Mycobacterium tuberculosis	Probable reductase	0.0199	0.2261	0.8858
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.0531	0.0488
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0292	0.3489	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0067	0.0531	0.0488
Brugia malayi	YY1-associated factor 2	0.0104	0.1015	0.2826
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0896	0.2482
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0104	0.1015	0.2707
Plasmodium falciparum	thioredoxin reductase	0.0087	0.0794	0.2276
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0097	0.0164
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.056	0.1315
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0104	0.1015	0.23
Schistosoma mansoni	jumonji domain containing protein	0.0067	0.0531	0.0488
Leishmania major	mitochondrial DNA polymerase beta	0.0351	0.4259	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.006	0.0439	0.0933
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0046	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.003	0.0046	0.0132
Echinococcus multilocularis	tumor protein p63	0.0665	0.8383	0.8376
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0095	0.0891	0.0849
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0104	0.1015	0.23
Giardia lamblia	NADH oxidase lateral transfer candidate	0.003	0.0046	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0199	0.2261	0.8858
Echinococcus granulosus	lysine specific demethylase 5A	0.0067	0.0531	0.0488
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.003	0.0046	0.0132
Schistosoma mansoni	fusion	0.0104	0.1015	0.0974
Trypanosoma cruzi	WLM domain containing protein, putative	0.0104	0.1015	0.23
Entamoeba histolytica	hypothetical protein	0.0027	0	0.5
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0095	0.0896	0.0854
Trypanosoma brucei	hypothetical protein, conserved	0.0104	0.1015	0.2383
Trypanosoma brucei	trypanothione reductase	0.0087	0.0794	0.1864
Plasmodium falciparum	thioredoxin reductase	0.003	0.0046	0.0132
Echinococcus multilocularis	zinc finger protein Ran binding	0.0104	0.1015	0.0974
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0095	0.0891	0.2468
Chlamydia trachomatis	SWIB complex protein	0.0292	0.3489	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0292	0.3489	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.003	0.0046	0.0132
Leishmania major	hypothetical protein, conserved	0.0104	0.1015	0.2383
Schistosoma mansoni	hypothetical protein	0.0104	0.1015	0.0974
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0081	0.0035
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.003	0.0046	0.0108
Schistosoma mansoni	cellular tumor antigen P53	0.0097	0.0928	0.0886
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0049	0.0297	0.0698
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0104	0.1015	0.23
Schistosoma mansoni	hypothetical protein	0.0292	0.3489	0.3459
Plasmodium falciparum	glutathione reductase	0.003	0.0046	0.0132
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0104	0.1015	0.23
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.003	0.0046	0.0132
Loa Loa (eye worm)	brahma associated protein	0.0292	0.3489	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0067	0.0531	0.0488
Plasmodium vivax	thioredoxin reductase, putative	0.0087	0.0794	0.2276
Echinococcus granulosus	ring and YY1 binding protein	0.0104	0.1015	0.0974
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.056	0.0516
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0097	0.0051
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.003	0.0046	0.018
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0221	0.2552	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.056	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0891	0.2468
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0049	0.0297	0.0597
Schistosoma mansoni	zinc finger protein	0.0104	0.1015	0.0974
Leishmania major	hypothetical protein, conserved	0.0104	0.1015	0.2383
Trichomonas vaginalis	set domain proteins, putative	0.0271	0.3202	0.9168
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0199	0.2261	0.8858
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0049	0.0297	0.0597
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0238	0.2771	0.7919
Echinococcus granulosus	zinc finger protein Ran binding	0.0104	0.1015	0.0974
Echinococcus granulosus	SWI:SNF matrix associated	0.0292	0.3489	0.3459
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0104	0.1015	0.2383
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0104	0.1015	0.2826
Brugia malayi	brahma associated protein 60 kDa	0.0292	0.3489	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0351	0.4259	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0199	0.2261	0.8858
Brugia malayi	Pre-SET motif family protein	0.0034	0.0097	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1015	0.2826
Onchocerca volvulus		0.0097	0.0928	0.2449
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.003	0.0046	0.0108
Leishmania major	hypothetical protein, conserved	0.0104	0.1015	0.2383
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.003	0.0046	0.0108
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.003	0.0046	0.0016
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0088	0.0809	0.0767
Echinococcus multilocularis	SWI:SNF matrix associated	0.0292	0.3489	0.3459
Schistosoma mansoni	hypothetical protein	0.0095	0.0891	0.0849
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0095	0.0896	0.2482
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.056	0.2696
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.056	0.0516
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0104	0.1015	0.0974
Leishmania major	hypothetical protein, conserved	0.0104	0.1015	0.2383
Loa Loa (eye worm)	apoptosis regulator protein	0.0095	0.0891	0.2468
Leishmania major	hypothetical protein, conserved	0.0104	0.1015	0.2383
Loa Loa (eye worm)	thioredoxin reductase	0.0087	0.0794	0.2185
Echinococcus multilocularis	microtubule associated protein 2	0.0789	1	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.003	0.0046	0.0108
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.0531	0.1424
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0095	0.0891	0.0849
Schistosoma mansoni	hypothetical protein	0.0292	0.3489	0.3459
Treponema pallidum	NADH oxidase	0.003	0.0046	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.003	0.0046	0.0108
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0104	0.1015	0.0974
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.003	0.0046	0.0108
Echinococcus granulosus	L aminoadipate semialdehyde	0.0095	0.0896	0.0854
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0067	0.0531	0.0488
Schistosoma mansoni	hypothetical protein	0.0095	0.0891	0.0849
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0292	0.3489	1
Onchocerca volvulus		0.0095	0.0896	0.2357
Chlamydia trachomatis	DNA topoisomerase I	0.0292	0.3489	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.003	0.0046	0.0221
Schistosoma mansoni	TRABID protein (C64 family)	0.0104	0.1015	0.0974
Toxoplasma gondii	NADPH-glutathione reductase	0.003	0.0046	0.0132
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0095	0.0891	0.0849
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0292	0.3489	1
Schistosoma mansoni	apoptosis regulator bax	0.0095	0.0891	0.0849
Mycobacterium ulcerans	hypothetical protein	0.0185	0.2078	1
Trypanosoma brucei	hypothetical protein, conserved	0.0104	0.1015	0.2383
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0104	0.1015	0.2826
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.056	0.1605
Toxoplasma gondii	hypothetical protein	0.0057	0.0393	0.1126
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0199	0.2261	0.8858
Onchocerca volvulus		0.0104	0.1015	0.2707
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0104	0.1015	0.2909
Echinococcus granulosus	Zinc finger RanBP2 type	0.0104	0.1015	0.0974
Echinococcus multilocularis	SWI:SNF matrix associated	0.0292	0.3489	0.3459
Echinococcus granulosus	tumor protein p63	0.0665	0.8383	0.8376
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0185	0.2078	0.8141
Brugia malayi	brahma associated protein 60 kDa	0.0292	0.3489	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.003	0.0046	0.0108
Toxoplasma gondii	ran binding protein	0.0104	0.1015	0.2909
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0097	0.0278
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0166	0.1831	0.4237
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1015	0.2826
Trypanosoma cruzi	hypothetical protein, conserved	0.0104	0.1015	0.23
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0221	0.2552	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0097	0.0051
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0097	0.0051
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0097	0.0051
Trypanosoma cruzi	hypothetical protein, conserved	0.0104	0.1015	0.23
Brugia malayi	Pre-SET motif family protein	0.0238	0.2771	0.7919
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0.3489	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0292	0.3489	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0351	0.4259	1
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0104	0.1015	0.2909
Trypanosoma cruzi	trypanothione reductase, putative	0.0087	0.0794	0.1776
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0095	0.0896	0.0854
Onchocerca volvulus		0.0104	0.1015	0.2707
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0046	1
Schistosoma mansoni	microtubule-associated protein tau	0.0789	1	1
Schistosoma mansoni	brg-1 associated factor	0.0292	0.3489	0.3459

Activities

No activities found for this compound.

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: CHEMBL550723

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 1043484