TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.548 | Formula: C25H33N3O2
H donors: 0 H acceptors: 1 LogP: 2.95 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCN(CCN1CCN1CCCC1)Cc1ccc(cc1)OCc1ccccc1
InChi: 1S/C25H33N3O2/c29-25-12-15-27(17-19-28(25)18-16-26-13-4-5-14-26)20-22-8-10-24(11-9-22)30-21-23-6-2-1-3-7-23/h1-3,6-11H,4-5,12-21H2
InChiKey: AHLIGMJXTUCXEL-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	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0147	0.0538
Schistosoma mansoni	ap endonuclease	0.002	0.0132	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Echinococcus multilocularis	microtubule associated protein 2	0.0727	0.9873	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Leishmania major	telomerase reverse transcriptase, putative	0.0201	0.2629	1
Echinococcus granulosus	microtubule associated protein 2	0.0727	0.9873	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0006	0.0006
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0147	0.0558
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0201	0.2629	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0395	0.1054
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.0339	0.115
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.015	0.1931	1
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0006	0.0002
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0395	0.0395
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0021	0.0147	0.0143
Schistosoma mansoni	blooms syndrome DNA helicase	0.0011	0.0006	0.0006
Giardia lamblia	Telomerase catalytic subunit	0.0201	0.2629	0.6292
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0308	0.41	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0006	0.0006
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0006	0.0006
Brugia malayi	Telomerase reverse transcriptase	0.0535	0.723	1
Schistosoma mansoni	microtubule-associated protein tau	0.0727	0.9873	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0006	0.0006
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0132	0.0175
Toxoplasma gondii	exonuclease III APE	0.002	0.0132	0.0502
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0021	0.0147	0.0143
Plasmodium falciparum	telomerase reverse transcriptase	0.0201	0.2629	1
Entamoeba histolytica	recQ family helicase, putative	0.0021	0.0147	0.0358
Schistosoma mansoni	DNA helicase recq5	0.0021	0.0147	0.0148
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0006	0.0021
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0006	0.0002
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0006	0.0006
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0021	0.0147	0.3621
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0147	0.0558
Brugia malayi	Bloom's syndrome protein homolog	0.0021	0.0147	0.0195
Toxoplasma gondii	RNA-directed DNA polymerase	0.0201	0.2629	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0395	0.0663
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0021	0.0147	0.0143
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0395	0.0395
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0395	0.1484
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0006	0.0006
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0132	0.0482
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0395	0.04
Schistosoma mansoni	ap endonuclease	0.002	0.0132	0.0134
Loa Loa (eye worm)	RecQ helicase	0.0021	0.0147	0.3621
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0006	0.0002
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0006	0.0006
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0395	0.0963
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0006	0.0006
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0132	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0132	0.0322
Trypanosoma brucei	telomerase reverse transcriptase	0.0201	0.2629	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0395	0.0663
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0147	0.0037
Schistosoma mansoni	DNA helicase recq1	0.0021	0.0147	0.0148
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.015	0.1931	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0395	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.3621
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0395	0.04
Treponema pallidum	fructose-bisphosphate aldolase	0.0308	0.41	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0000000030455
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0132	0.0482
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0006	0.0006
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0132	0.0128
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0147	0.0195
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0021	0.0147	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0006	0.0006
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0132	0.0502
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0132	0.0128
Loa Loa (eye worm)	inositol-1	0.0039	0.0395	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0006	0.0006
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0006	0.0006
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0201	0.2629	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0147	0.0195
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0006	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0006	0.0002
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0308	0.41	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.015	0.1931	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.0006	0.0021
Brugia malayi	Inositol-1	0.0039	0.0395	0.0539
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0147	0.0037
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0201	0.2629	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Echinococcus multilocularis	bloom syndrome protein	0.0021	0.0147	0.0143
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0132	0.3244
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0006	0.0002
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0021	0.0147	0.0143
Trichomonas vaginalis	DNA helicase recq1, putative	0.0021	0.0147	0.0037
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0006	0.0002
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0395	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0006	0.0002
Echinococcus granulosus	bloom syndrome protein	0.0021	0.0147	0.0143
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0147	0.0059
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.0006	0.0014
Giardia lamblia	Sgs1 DNA helicase, putative	0.0021	0.0147	0.0037
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0395	0.1054
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0395	0.1484
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0395	0.1503
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0002
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	0.41	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0147	0.0059
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0395	0.0663
Giardia lamblia	Fructose-bisphosphate aldolase	0.0308	0.41	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0006	0.0006
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0147	0.0059

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 806992