TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.4 | Formula: C20H21N3O2
H donors: 1 H acceptors: 2 LogP: 1.92 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1)C(=O)N1CC(=O)N2C(C1)c1ccccc1CCC2
InChi: 1S/C20H21N3O2/c21-16-9-7-15(8-10-16)20(25)22-12-18-17-6-2-1-4-14(17)5-3-11-23(18)19(24)13-22/h1-2,4,6-10,18H,3,5,11-13,21H2
InChiKey: YTHMXIWJTQUKFU-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

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
Trypanosoma cruzi	trypanothione reductase, putative	0.0095	0.0368	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0203	0.103
Entamoeba histolytica	hypothetical protein	0.0037	0.0051	0.8598
Trichomonas vaginalis	glutathione reductase, putative	0.0033	0.003	0.5118
Giardia lamblia	DINP protein human, muc B family	0.0038	0.0059	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Brugia malayi	glutathione reductase	0.0095	0.0368	0.3
Entamoeba histolytica	hypothetical protein	0.0037	0.0051	0.8598
Trichomonas vaginalis	r2r3-MYB transcription factor, putative	0.0028	0.0001	0.0121
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.004	0.0088
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.1871	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.0059	0.085
Brugia malayi	MH2 domain containing protein	0.0241	0.1157	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0203	0.153
Echinococcus granulosus	dna polymerase eta	0.0064	0.0196	0.0991
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0095	0.0368	0.2019
Trichomonas vaginalis	mercuric reductase, putative	0.0033	0.003	0.5118
Trichomonas vaginalis	r2r3-MYB transcription factor, putative	0.0028	0.0001	0.0121
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0051	0.0122
Plasmodium vivax	glutathione reductase, putative	0.0095	0.0368	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0051	0.8598
Trypanosoma brucei	trypanothione reductase	0.0095	0.0368	1
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.0059	0.0172
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0038	0.0059	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0241	0.1157	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0053	0.0192
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0128	0.0784
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0059	0.085
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0527	0.2712	0.2752
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0053	0.0667
Trichomonas vaginalis	MYB, putative	0.0028	0.0001	0.0121
Loa Loa (eye worm)	thioredoxin reductase	0.0095	0.0368	0.2938
Schistosoma mansoni	hypothetical protein	0.0035	0.004	0.0059
Brugia malayi	RNA binding protein	0.0065	0.0203	0.153
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0128	0.0784
Schistosoma mansoni	DNA polymerase eta	0.0064	0.0196	0.0991
Trypanosoma brucei	unspecified product	0.0038	0.0059	0.085
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.0059	0.0172
Leishmania major	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0059	0.0029
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0059	0.085
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0038	0.0059	0.004
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0203	0.1455
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Echinococcus granulosus	dna polymerase kappa	0.0038	0.0059	0.0172
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.0059	0.0255
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0203	0.103
Brugia malayi	Thioredoxin reductase	0.0095	0.0368	0.3
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0128	0.0865
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0051	0.0122
Schistosoma mansoni	hypothetical protein	0.0342	0.1705	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0203	0.103
Mycobacterium leprae	PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA	0.1344	0.7139	1
Loa Loa (eye worm)	glutathione reductase	0.0095	0.0368	0.2938
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0218	0.1031	0.1408
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Toxoplasma gondii	NADPH-glutathione reductase	0.0033	0.003	0.0109
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0095	0.0368	0.0476
Leishmania major	DNA polymerase eta, putative	0.0037	0.0053	0.0667
Schistosoma mansoni	hypothetical protein	0.0342	0.1705	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0242	0.1163	0.0216
Leishmania major	trypanothione reductase	0.0095	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0196	0.1397
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0059	0.085
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0051	0.0122
Trypanosoma cruzi	DNA polymerase eta, putative	0.0064	0.0196	0.491
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0038	0.0059	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0038	0.0059	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.0059	0.0168
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.1871	1	1
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0527	0.2712	0.269
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA	0.1344	0.7139	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0241	0.1157	1
Plasmodium falciparum	thioredoxin reductase	0.0095	0.0368	1
Toxoplasma gondii	thioredoxin reductase	0.0095	0.0368	0.1356
Echinococcus granulosus	geminin	0.0342	0.1705	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0203	0.1455
Brugia malayi	hypothetical protein	0.0037	0.0051	0.0182
Mycobacterium tuberculosis	Probable dehydrogenase	0.0218	0.1031	0.1408
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Mycobacterium tuberculosis	Probable reductase	0.0218	0.1031	0.1408
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0203	0.1455
Leishmania major	DNA polymerase eta, putative	0.0064	0.0196	0.491
Echinococcus multilocularis	dna polymerase eta	0.0064	0.0196	0.0991
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0203	0.103
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0033	0.003	0.5061
Plasmodium vivax	thioredoxin reductase, putative	0.0095	0.0368	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0033	0.003	0.0109
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0038	0.0059	0.0172
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0203	0.103
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0128	0.0865
Schistosoma mansoni	hypothetical protein	0.0037	0.0051	0.0122
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0242	0.1163	0.1594
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0038	0.0059	0.0172
Mycobacterium tuberculosis	Probable oxidoreductase	0.0242	0.1163	0.1594
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Plasmodium falciparum	glutathione reductase	0.0095	0.0368	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0038	0.0059	0.004
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0218	0.1031	0.1408
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0218	0.1031	0.1408
Trypanosoma brucei	DNA polymerase eta, putative	0.0064	0.0196	0.491
Entamoeba histolytica	hypothetical protein	0.0037	0.0051	0.8598
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0218	0.1031	0.1408
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0059	0.0029
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0527	0.2712	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0095	0.0368	0.2019
Echinococcus multilocularis	geminin	0.0342	0.1705	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0242	0.1163	0.1594
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.1871	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0064	0.0196	0.1473
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0527	0.2712	0.269
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0203	0.103
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.0059	0.0172
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0059	0.085
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0203	0.103
Brugia malayi	TAR-binding protein	0.0065	0.0203	0.153

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 0 ug ml-1	Minimum inhibitory concentration to prevent all movement of cysts and evaginated scoleces of in vitro Taenia crassiceps screen after 48 h;	ChEMBL.	2769679

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

No external resources registered for this compound

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 103936