TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 220.248 | Formula: C11H14N3O2+
H donors: 2 H acceptors: 2 LogP: -0.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNC(=O)C[n+]1cccc(c1)C(=O)N
InChi: 1S/C11H13N3O2/c1-2-5-13-10(15)8-14-6-3-4-9(7-14)11(12)16/h2-4,6-7H,1,5,8H2,(H2-,12,13,15,16)/p+1
InChiKey: CVWMZOGTTLOXKT-UHFFFAOYSA-O

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
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.514	0.514
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.019	0.019
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0827	0.0827
Brugia malayi	hypothetical protein	0.0027	0.0495	0.0442
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.019	0.1748
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.019	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0119	0.3592	0.3564
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.019	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.02	0.0245
Onchocerca volvulus		0.0024	0.0404	0.1268
Trichomonas vaginalis	ran, putative	0.002	0.0266	0.2734
Brugia malayi	MH2 domain containing protein	0.0112	0.3361	0.3324
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0495	0.9645
Brugia malayi	intermediate filament protein	0.0029	0.0558	0.0505
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0827	0.0776
Trypanosoma brucei	importin beta-1 subunit, putative	0.0027	0.0506	0.2779
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0827	0.4755
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.002	0.0266	0.2408
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0404	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0157
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0827	0.4755
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0062	0.1679	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0057	0.1512	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0404	0.0362
Schistosoma mansoni	ran	0.002	0.0266	0.0286
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0487	0.0434
Echinococcus multilocularis	lamin	0.0029	0.0558	0.0558
Loa Loa (eye worm)	MH2 domain-containing protein	0.0112	0.3361	0.3332
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0827	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0309	1	1
Leishmania major	GTP-binding protein, putative	0.002	0.0266	0.13
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.002	0.0266	0.2408
Echinococcus multilocularis	muscleblind protein 1	0.0309	1	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0062	0.1679	0.1679
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.019	0.0831
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.3592	0.3861
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0827	0.4755
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.02	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0495	0.2308
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0157
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0057	0.1512	0.1512
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0062	0.1679	1
Brugia malayi	RNA recognition motif domain containing protein	0.0119	0.3592	0.3556
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.02	0.0306
Echinococcus granulosus	lamin	0.0029	0.0558	0.0558
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0827	0.0787
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0022	0.0334	0.172
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.019	0.0148
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0404	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0057	0.1512	1
Brugia malayi	TAR-binding protein	0.0119	0.3592	0.3556
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0404	0.035
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0062	0.1679	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.002	0.0266	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0027	0.0506	0.2779
Schistosoma mansoni	aldehyde dehydrogenase	0.0057	0.1512	0.1625
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0288	0.9302	0.9299
Loa Loa (eye worm)	hypothetical protein	0.0309	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0157
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0022	0.0334	0.3617
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0404	0.1616
Schistosoma mansoni	ap endonuclease	0.0018	0.019	0.0204
Brugia malayi	RNA, U transporter 1	0.0077	0.2183	0.2139
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0057	0.1512	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0827	0.4755
Plasmodium vivax	importin-beta 2, putative	0.0027	0.0506	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0404	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0061	0.0018
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0495	0.271
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.019	0.1748
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0165	0.514	0.5118
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0061	0.0061
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.02	0.0306
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0404	0.035
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0487	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0506	0.0465
Schistosoma mansoni	lamin	0.0029	0.0558	0.06
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0062	0.1679	0.1632
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0057	0.1512	1
Schistosoma mansoni	alpha-glucosidase	0.0142	0.4368	0.4695
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0057	0.1512	0.8972
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0404	0.1616
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0404	0.1761
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0827	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0057	0.1512	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0404	0.2147
Loa Loa (eye worm)	RNA binding protein	0.0119	0.3592	0.3564
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0165	0.514	0.5113
Schistosoma mansoni	ran	0.002	0.0266	0.0286
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.3592	0.3861
Echinococcus granulosus	muscleblind protein	0.0309	1	1
Echinococcus granulosus	tar DNA binding protein	0.0119	0.3592	0.3592
Echinococcus granulosus	GTP binding nuclear protein Ran	0.002	0.0266	0.0266
Schistosoma mansoni	alpha-glucosidase	0.0142	0.4368	0.4695
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.002	0.0266	0.0576
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0827	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0827	1
Echinococcus multilocularis	snurportin 1	0.0288	0.9302	0.9302
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.002	0.0266	0.0224
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0558	0.0517
Echinococcus granulosus	importin subunit beta 1	0.0027	0.0506	0.0506
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0827	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0061	0.0061
Brugia malayi	RNA binding protein	0.0119	0.3592	0.3556
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0558	0.0517
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0404	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0404	0.2147
Schistosoma mansoni	lamin	0.0029	0.0558	0.06
Echinococcus multilocularis	tar DNA binding protein	0.0119	0.3592	0.3592
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0404	0.1616
Entamoeba histolytica	hypothetical protein	0.0022	0.0334	0.172
Loa Loa (eye worm)	transcription factor SMAD2	0.0112	0.3361	0.3332
Echinococcus granulosus	intermediate filament protein	0.0029	0.0558	0.0558
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0404	0.035
Echinococcus multilocularis	musashi	0.0029	0.0558	0.0558
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.02	0.0073
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.002	0.0266	0.13
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.019	0.0173
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.019	0.0831
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0112	0.0069
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.019	0.0831
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.3592	0.3861
Schistosoma mansoni	hypothetical protein	0.0288	0.9302	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0558	0.0505
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0112	0.0057
Echinococcus granulosus	transcription factor Dp 1	0.0036	0.0802	0.0802
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0062	0.1679	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0404	0.1616
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0404	0.2147
Toxoplasma gondii	HEAT repeat-containing protein	0.0027	0.0506	0.2393
Echinococcus multilocularis	lamin dm0	0.0029	0.0558	0.0558
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.002	0.0266	0.13
Plasmodium falciparum	importin beta, putative	0.0027	0.0506	1
Brugia malayi	Importin beta-1 subunit	0.0027	0.0506	0.0454
Echinococcus granulosus	lamin dm0	0.0029	0.0558	0.0558
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0062	0.1679	0.1679
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.514	0.514
Echinococcus multilocularis	muscleblind protein	0.0309	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.3592	0.3861
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0827	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0495	0.9645
Schistosoma mansoni	importin beta-1	0.0027	0.0506	0.0544
Entamoeba histolytica	Ran family GTPase	0.002	0.0266	0.13
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.019	0.0831
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0157
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0057	0.1512	0.1512
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0404	0.0362
Schistosoma mansoni	alpha glucosidase	0.0037	0.0827	0.0889
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0495	0.9645
Leishmania major	hypothetical protein, conserved	0.0027	0.0495	0.271
Onchocerca volvulus		0.0029	0.0558	0.1829
Echinococcus granulosus	lysosomal alpha glucosidase	0.0165	0.514	0.514
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0827	1
Onchocerca volvulus		0.0029	0.0558	0.1829
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0558	0.0517
Echinococcus multilocularis	transcription factor Dp 1	0.0036	0.0802	0.0802
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0495	0.271
Trypanosoma brucei	glucosidase, putative	0.0037	0.0827	0.4755
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0404	0.1616
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0827	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0404	0.1616
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0062	0.1679	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0495	0.271
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0055	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0404	0.0362
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.002	0.0266	0.0266
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0404	0.2147
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0062	0.1679	0.1804
Schistosoma mansoni	ap endonuclease	0.0018	0.019	0.0204
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0827	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.019	0.0831
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.3592	0.3861
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0404	0.1761
Brugia malayi	hypothetical protein	0.0017	0.0177	0.0122
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0022	0.0334	0.3617
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.019	0.0136
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0827	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.002	0.0266	0.13
Schistosoma mansoni	aldehyde dehydrogenase	0.0057	0.1512	0.1625
Echinococcus granulosus	snurportin 1	0.0288	0.9302	0.9302
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.002	0.0266	0.0212
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0827	0.4755
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0404	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0028	0.054	0.0499
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0558	0.06
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0062	0.1679	0.1642
Onchocerca volvulus		0.0095	0.2803	1
Leishmania major	importin beta-1 subunit, putative	0.0022	0.0334	0.172
Echinococcus multilocularis	importin subunit beta 1	0.0027	0.0506	0.0506
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0119	0.3592	0.3564
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0495	0.0454
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0404	0.1616
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.019	0.019
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0827	0.482
Trichomonas vaginalis	importin beta-1, putative	0.0022	0.0334	0.3617

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: CHEMBL3139864

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 1861960