TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.523 | Formula: C27H28N2O3
H donors: 2 H acceptors: 2 LogP: 2.74 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1CNCc1c2ccc(cc2n(c1C(=O)O)Cc1ccccc1)C
InChi: 1S/C27H28N2O3/c1-3-32-25-12-8-7-11-21(25)16-28-17-23-22-14-13-19(2)15-24(22)29(26(23)27(30)31)18-20-9-5-4-6-10-20/h4-15,28H,3,16-18H2,1-2H3,(H,30,31)
InChiKey: OKGBKGRPJNEDNZ-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
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0502	0.0427
Schistosoma mansoni	potassium channel beta	0.0046	0.062	0.0546
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0502	0.119
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0026	0.0079	0.1266
Loa Loa (eye worm)	oxidoreductase	0.016	0.3642	0.3591
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0046	0.062	0.0546
Plasmodium falciparum	aldehyde reductase, putative	0.0046	0.062	1
Entamoeba histolytica	aldose reductase, putative	0.016	0.3642	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0502	0.119
Echinococcus multilocularis	aldo keto reductase	0.016	0.3642	0.3591
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.6508	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0398	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Echinococcus multilocularis	serotonin receptor	0.0398	1	1
Leishmania major	prostaglandin f synthase, putative	0.016	0.3642	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0502	0.119
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0502	0.138
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0502	0.0427
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0502	0.119
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0502	0.0427
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Onchocerca volvulus		0.016	0.3642	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3642	1
Plasmodium vivax	aldehyde reductase, putative	0.0046	0.062	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0046	0.062	1
Entamoeba histolytica	aldose reductase, putative	0.016	0.3642	1
Giardia lamblia	Aldose reductase	0.016	0.3642	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0046	0.062	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0502	0.0427
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0502	0.138
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0046	0.062	0.1703
Echinococcus granulosus	aldo keto reductase	0.016	0.3642	0.3591
Leishmania major	aldo-keto reductase-like protein	0.016	0.3642	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0026	0.0079	0.0216
Trichomonas vaginalis	aldo-keto reductase, putative	0.0046	0.062	0.1703
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0502	0.0427
Schistosoma mansoni	aldo-keto reductase	0.016	0.3642	0.3591
Leishmania major	p450 reductase, putative	0.0026	0.0079	0.0216
Echinococcus granulosus	aldo keto reductase	0.016	0.3642	0.3591
Echinococcus multilocularis	aldo keto reductase	0.016	0.3642	0.3591
Mycobacterium tuberculosis	Probable oxidoreductase	0.016	0.3642	0.5227
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0502	0.119
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3642	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Giardia lamblia	Aldose reductase	0.016	0.3642	1
Trypanosoma brucei	aldo-keto reductase, putative	0.016	0.3642	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0046	0.062	0.0546
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.016	0.3642	1
Echinococcus granulosus	hypothetical protein	0.016	0.3642	0.3591
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Trichomonas vaginalis	esterase, putative	0.0042	0.0502	0.138
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0046	0.062	0.0375
Echinococcus granulosus	aldo keto reductase	0.016	0.3642	0.3591
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0502	0.0427
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0502	0.138
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3642	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0502	0.0427
Schistosoma mansoni	aldo-keto reductase	0.016	0.3642	0.3591
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0046	0.062	0.152
Onchocerca volvulus		0.016	0.3642	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Brugia malayi	beta-lactamase	0.0042	0.0502	0.119
Loa Loa (eye worm)	hypothetical protein	0.016	0.3642	0.3591
Trichomonas vaginalis	sulfite reductase, putative	0.0026	0.0079	0.0216
Trichomonas vaginalis	aldo-keto reductase, putative	0.0046	0.062	0.1703
Echinococcus multilocularis	aldo keto reductase	0.016	0.3642	0.3591
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.016	0.3642	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0502	0.119
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0502	0.119
Loa Loa (eye worm)	oxidoreductase	0.016	0.3642	0.3591
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0502	0.119
Mycobacterium ulcerans	hypothetical protein	0.0046	0.062	0.152
Onchocerca volvulus		0.016	0.3642	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Loa Loa (eye worm)	oxidoreductase	0.016	0.3642	0.3591
Entamoeba histolytica	aldose reductase, putative	0.016	0.3642	1
Leishmania major	hypothetical protein, conserved	0.0042	0.0502	0.138
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Echinococcus multilocularis	serotonin receptor	0.0398	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0046	0.062	0.0546
Trypanosoma cruzi	aldo-keto reductase	0.016	0.3642	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.016	0.3642	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0046	0.062	0.0375
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.016	0.3642	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3642	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.016	0.3642	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0502	0.0427
Loa Loa (eye worm)	oxidoreductase	0.016	0.3642	0.3591
Trichomonas vaginalis	aldo/keto reductase, putative	0.016	0.3642	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Trypanosoma cruzi	aldo/keto reductase, putative	0.0046	0.062	0.152
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3642	0.3591
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.062	0.1703
Echinococcus granulosus	voltage gated potassium channel subunit	0.0046	0.062	0.0546
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0502	0.0427
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0502	0.0427
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0502	0.8102
Echinococcus multilocularis	aldo keto reductase	0.016	0.3642	0.3591
Trypanosoma brucei	aldo/keto reductase, putative	0.0046	0.062	0.152
Trichomonas vaginalis	aldo/keto reductase, putative	0.016	0.3642	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0502	0.0427
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Mycobacterium ulcerans	oxidoreductase	0.016	0.3642	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0046	0.062	0.1703
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.016	0.3642	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0046	0.062	0.1703
Onchocerca volvulus		0.016	0.3642	1
Mycobacterium ulcerans	lipase LipD	0.0042	0.0502	0.119
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Loa Loa (eye worm)	hypothetical protein	0.0398	1	1
Loa Loa (eye worm)	oxidoreductase	0.016	0.3642	0.3591
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Onchocerca volvulus		0.016	0.3642	1
Mycobacterium leprae	Conserved hypothetical protein	0.0113	0.241	0.6075
Loa Loa (eye worm)	hypothetical protein	0.0398	1	1
Schistosoma mansoni	pol-related	0.016	0.3642	0.3591
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0502	0.138
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Brugia malayi	NADH-dependent xylose reductase	0.0046	0.062	0.152
Toxoplasma gondii	aldose reductase, putative	0.016	0.3642	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.016	0.3642	1
Mycobacterium leprae	Possible oxidoreductase	0.0046	0.062	0.0375
Onchocerca volvulus		0.0046	0.062	0.0375
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0502	0.138
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3642	1
Onchocerca volvulus		0.016	0.3642	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3642	0.3591
Brugia malayi	beta-lactamase family protein	0.0042	0.0502	0.119
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.016	0.3642	1
Trypanosoma brucei	prostaglandin f synthase	0.016	0.3642	1
Mycobacterium tuberculosis	Conserved protein	0.0046	0.062	0.0196
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0502	0.0427
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0502	0.119
Echinococcus multilocularis	aldehyde reductase	0.0113	0.241	0.235
Echinococcus granulosus	aldehyde reductase	0.0113	0.241	0.235
Toxoplasma gondii	aldo-keto reductase	0.0046	0.062	0.0375

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 872936