TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.416 | Formula: C23H19N3O
H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#CCc1ccc(cc1)NC1c2ccccc2C(=O)N1Cc1ccccc1
InChi: 1S/C23H19N3O/c24-15-14-17-10-12-19(13-11-17)25-22-20-8-4-5-9-21(20)23(27)26(22)16-18-6-2-1-3-7-18/h1-13,22,25H,14,16H2
InChiKey: XUVWMSLVGGWEQM-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 brucei	unspecified product	0.0019	0.055	0.1763
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0883	0.3125
Echinococcus granulosus	BC026374 protein S09 family	0.0036	0.1357	0.1357
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0036	0.1357	0.1357
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.193	0.193
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.055	0.055
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0407	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0036	0.1357	0.1862
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.055	0.1763
Toxoplasma gondii	thioredoxin reductase	0.0048	0.193	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Echinococcus granulosus	neuroligin	0.0036	0.1357	0.1357
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0883	0.0883
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.055	0.0943
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.055	0.1763
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0407	0.0906
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0407	0.0407
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0036	0.1357	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0019	0.055	0.055
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0407	0.0906
Echinococcus multilocularis	dna polymerase eta	0.0019	0.055	0.055
Loa Loa (eye worm)	carboxylesterase	0.0213	1	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.055	0.055
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.193	0.193
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0036	0.1357	0.1357
Echinococcus multilocularis	carboxylesterase 5A	0.0213	1	1
Echinococcus granulosus	acetylcholinesterase	0.0213	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0883	0.0883
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.055	0.1512
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0036	0.1357	0.1862
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0883	0.0883
Echinococcus multilocularis	para nitrobenzyl esterase	0.0036	0.1357	0.1357
Loa Loa (eye worm)	carboxylesterase	0.0036	0.1357	0.1357
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.055	0.055
Plasmodium falciparum	glutathione reductase	0.0048	0.193	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0036	0.1357	1
Plasmodium falciparum	thioredoxin reductase	0.0048	0.193	1
Schistosoma mansoni	acetylcholinesterase	0.0036	0.1357	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Brugia malayi	Carboxylesterase family protein	0.0036	0.1357	0.1357
Echinococcus granulosus	carboxylesterase 5A	0.0213	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.5483	0.5483
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0883	0.3125
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.055	0.0943
Brugia malayi	hypothetical protein	0.0153	0.7047	0.7047
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.055	0.1512
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0036	0.1357	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.4915	0.8837
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.4915	0.8837
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.5483	0.5483
Brugia malayi	Flap endonuclease-1	0.0026	0.0883	0.0883
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0883	0.501
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0036	0.1357	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0407	0.5
Echinococcus multilocularis	neuroligin	0.0036	0.1357	0.1357
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0407	0.0407
Onchocerca volvulus		0.0153	0.7047	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.055	0.1512
Treponema pallidum	NADH oxidase	0.0017	0.0407	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0036	0.1357	0.1357
Echinococcus multilocularis	acetylcholinesterase	0.0213	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0883	0.3125
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0192	0.0192
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0036	0.1357	0.1357
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0121	0.5508	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0213	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.055	0.1512
Echinococcus multilocularis	acetylcholinesterase	0.0213	1	1
Brugia malayi	MH2 domain containing protein	0.0121	0.5483	0.5483
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.193	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.055	0.0943
Trichomonas vaginalis	spcc417.12 protein, putative	0.0036	0.1357	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.055	0.055
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0407	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.055	0.0943
Brugia malayi	Thioredoxin reductase	0.0048	0.193	0.193
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.055	0.1763
Plasmodium vivax	glutathione reductase, putative	0.0048	0.193	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0121	0.5508	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0407	0.0906
Giardia lamblia	DINP protein human, muc B family	0.0019	0.055	0.3017
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0036	0.1357	0.1357
Schistosoma mansoni	BC026374 protein (S09 family)	0.0036	0.1357	0.1357
Brugia malayi	Carboxylesterase family protein	0.0036	0.1357	0.1357
Leishmania major	DNA polymerase eta, putative	0.0019	0.055	0.0943
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.055	0.1763
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0407	0.0407
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Leishmania major	trypanothione reductase	0.0048	0.193	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0036	0.1357	0.1862
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0883	0.3125
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.055	0.0281
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.4915	0.8837
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.055	0.055
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.055	0.0281
Echinococcus granulosus	para nitrobenzyl esterase	0.0036	0.1357	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Brugia malayi	Carboxylesterase family protein	0.0036	0.1357	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0213	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.055	0.055
Brugia malayi	glutathione reductase	0.0048	0.193	0.193
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0121	0.5508	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.055	0.055
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0883	1
Schistosoma mansoni	gliotactin	0.0036	0.1357	0.1357
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.0883	1
Loa Loa (eye worm)	glutathione reductase	0.0048	0.193	0.193
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.055	0.055
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0407	0.0407
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.055	0.0943
Schistosoma mansoni	DNA polymerase eta	0.0019	0.055	0.055
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0121	0.5508	1
Brugia malayi	Carboxylesterase family protein	0.0213	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.193	0.2985
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.193	0.193
Echinococcus granulosus	dna polymerase kappa	0.0019	0.055	0.055
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.193	1
Echinococcus granulosus	acetylcholinesterase	0.0213	1	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.055	0.0943
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0883	0.3125
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0192	0.0192
Trypanosoma brucei	trypanothione reductase	0.0048	0.193	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.055	0.055
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.055	0.1763
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0759	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0153	0.7047	0.7047
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0883	0.3748
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0213	1	1
Brugia malayi	Carboxylesterase family protein	0.0036	0.1357	0.1357
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0407	0.0906
Loa Loa (eye worm)	carboxylesterase	0.0036	0.1357	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1357	0.1357
Mycobacterium tuberculosis	Probable reductase	0.0109	0.4915	0.8837
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.4915	0.8837
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.055	0.0943
Brugia malayi	hypothetical protein	0.0036	0.1357	0.1357
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.4915	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0213	1	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 835386