TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.411 | Formula: C21H22N2O3
H donors: 1 H acceptors: 3 LogP: 3.03 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCN1C(c2ccccc2)C(=C(C1=O)O)C(=O)c1ccccc1)C
InChi: 1S/C21H22N2O3/c1-22(2)13-14-23-18(15-9-5-3-6-10-15)17(20(25)21(23)26)19(24)16-11-7-4-8-12-16/h3-12,18,25H,13-14H2,1-2H3
InChiKey: SMTCNGSZCHWCLS-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
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0729	0.0729
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1839	0.2886
Plasmodium falciparum	aldehyde reductase, putative	0.0018	0.0264	0.1932
Entamoeba histolytica	hypothetical protein	0.0035	0.1839	0.3597
Trypanosoma cruzi	aldo/keto reductase, putative	0.0064	0.4643	1
Echinococcus multilocularis	aldo keto reductase	0.0064	0.4643	0.7288
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0064	0.4643	0.4643
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0729	0.1062
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0729	0.1062
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0729	0.0729
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2892	0.454
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Toxoplasma gondii	aldose reductase, putative	0.0064	0.4643	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Loa Loa (eye worm)	hypothetical protein	0.0017	0.016	0.016
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1839	0.2886
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0698	0.0991
Entamoeba histolytica	hypothetical protein	0.0035	0.1839	0.3597
Entamoeba histolytica	hypothetical protein	0.0035	0.1839	0.3597
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1767	0.1767
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0698	0.0991
Schistosoma mansoni	aldo-keto reductase	0.0064	0.4643	0.7288
Loa Loa (eye worm)	oxidoreductase	0.0064	0.4643	0.4643
Schistosoma mansoni	hypothetical protein	0.0034	0.1767	0.2773
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0698	0.12
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Brugia malayi	hypothetical protein	0.0035	0.1839	0.1839
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0729	0.1269
Loa Loa (eye worm)	oxidoreductase	0.0064	0.4643	0.4643
Trichomonas vaginalis	aldo/keto reductase, putative	0.0064	0.4643	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0729	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0729	0.0729
Schistosoma mansoni	potassium channel beta	0.0018	0.0264	0.0414
Schistosoma mansoni	hypothetical protein	0.0035	0.1839	0.2886
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.3289	0.3289
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2892	0.454
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0698	0.1377
Brugia malayi	NADH-dependent xylose reductase	0.0018	0.0264	0.0264
Onchocerca volvulus		0.0064	0.4643	0.7171
Echinococcus granulosus	aldehyde reductase	0.0045	0.2857	0.4485
Mycobacterium tuberculosis	Conserved protein	0.0018	0.0264	0.0428
Echinococcus granulosus	aldo keto reductase	0.0064	0.4643	0.7288
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Plasmodium falciparum	aldo-keto reductase, putative	0.0018	0.0264	0.1932
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0729	0.1062
Onchocerca volvulus		0.0064	0.4643	0.7171
Onchocerca volvulus		0.0082	0.6371	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0064	0.4643	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0729	0.1444
Entamoeba histolytica	aldose reductase, putative	0.0064	0.4643	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0018	0.0264	0.0414
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0018	0.0264	0.0414
Giardia lamblia	Aldose reductase	0.0064	0.4643	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0018	0.0264	0.1932
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.016	0.0201
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0729	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0017	0.016	0.016
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0729	0.1269
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0082	0.6371	0.6371
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Leishmania major	aldo-keto reductase-like protein	0.0064	0.4643	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.3289	0.3289
Echinococcus multilocularis	aldehyde reductase	0.0045	0.2857	0.4485
Schistosoma mansoni	aldo-keto reductase	0.0064	0.4643	0.7288
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0018	0.0264	0.0264
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0729	0.1269
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0064	0.4643	1
Mycobacterium ulcerans	oxidoreductase	0.0064	0.4643	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0082	0.6371	1
Loa Loa (eye worm)	oxidoreductase	0.0064	0.4643	0.4643
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Entamoeba histolytica	hypothetical protein	0.0035	0.1839	0.3597
Giardia lamblia	Aldose reductase	0.0064	0.4643	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0729	0.1269
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0729	0.1062
Onchocerca volvulus		0.0023	0.0729	0.0761
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0729	0.1269
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0729	0.1269
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0064	0.4643	0.4643
Onchocerca volvulus		0.0064	0.4643	0.7171
Leishmania major	prostaglandin f synthase, putative	0.0064	0.4643	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.6371	0.6371
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.3289	0.3289
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0729	0.1444
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0698	0.0991
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0023	0.0698	0.12
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0729	0.0729
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2892	0.454
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Schistosoma mansoni	pol-related	0.0064	0.4643	0.7288
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.2892	0.2892
Trypanosoma brucei	aldo-keto reductase, putative	0.0064	0.4643	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.0082	0.6371	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0064	0.4643	1
Echinococcus granulosus	aldo keto reductase	0.0064	0.4643	0.7288
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2892	0.454
Loa Loa (eye worm)	oxidoreductase	0.0064	0.4643	0.4643
Loa Loa (eye worm)	hypothetical protein	0.0064	0.4643	0.4643
Mycobacterium leprae	conserved hypothetical protein	0.0023	0.0698	0.0991
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0729	0.1269
Onchocerca volvulus		0.0064	0.4643	0.7171
Loa Loa (eye worm)	oxidoreductase	0.0064	0.4643	0.4643
Loa Loa (eye worm)	hypothetical protein	0.0017	0.016	0.016
Echinococcus multilocularis	aldo keto reductase	0.0064	0.4643	0.7288
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0.0698	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2892	0.454
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0.0698	0.5
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0698	0.0991
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2892	0.454
Onchocerca volvulus		0.0064	0.4643	0.7171
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0729	0.1269
Loa Loa (eye worm)	hypothetical protein	0.0017	0.016	0.016
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.2892	0.2892
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0064	0.4643	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.016	0.016
Mycobacterium tuberculosis	Probable oxidoreductase	0.0064	0.4643	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0018	0.0264	0.0264
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1839	0.2886
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2892	0.454
Entamoeba histolytica	aldose reductase, putative	0.0064	0.4643	1
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0.0698	0.5
Trypanosoma cruzi	aldo-keto reductase	0.0064	0.4643	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0729	0.1062
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0064	0.4643	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0729	0.1062
Loa Loa (eye worm)	hypothetical protein	0.005	0.3289	0.3289
Trypanosoma brucei	prostaglandin f synthase	0.0064	0.4643	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0018	0.0264	0.0414
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0082	0.6371	1
Echinococcus granulosus	hypothetical protein	0.0064	0.4643	0.7288
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0064	0.4643	1
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0698	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Plasmodium vivax	aldehyde reductase, putative	0.0018	0.0264	0.1932
Echinococcus multilocularis	aldo keto reductase	0.0064	0.4643	0.7288
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	1	1
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0698	1
Entamoeba histolytica	aldose reductase, putative	0.0064	0.4643	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0698	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0729	0.0729
Echinococcus multilocularis	aldo keto reductase	0.0064	0.4643	0.7288
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Mycobacterium leprae	Conserved hypothetical protein	0.0045	0.2857	0.5922
Echinococcus granulosus	aldo keto reductase	0.0064	0.4643	0.7288
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0064	0.4643	0.4643
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0064	0.4643	0.7288
Onchocerca volvulus		0.0064	0.4643	0.7171
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0064	0.4643	0.4643
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0064	0.4643	0.7288
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0064	0.4643	1
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0264	0.0232
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1767	0.1767
Trichomonas vaginalis	aldo-keto reductase, putative	0.0064	0.4643	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0064	0.4643	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0729	0.1062

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 657457