TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 530.702 | Formula: C35H38N4O
H donors: 1 H acceptors: 2 LogP: 5.94 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: O=C(/C(=C/c1cccnc1)/c1ccccc1)NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChi: 1S/C35H38N4O/c40-35(33(30-14-4-1-5-15-30)27-29-13-12-20-36-28-29)37-21-10-11-22-38-23-25-39(26-24-38)34(31-16-6-2-7-17-31)32-18-8-3-9-19-32/h1-9,12-20,27-28,34H,10-11,21-26H2,(H,37,40)/b33-27+
InChiKey: FYMPKXWLJVLLBH-MUGXBBEHSA-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
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0678	0.0446
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.013	0.3451	0.3451
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0122	0.3224	0.9154
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0758	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0758	0.0758
Brugia malayi	intermediate filament protein	0.0027	0.0412	0.1069
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0122	0.3224	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.087
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2457	0.2269
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0412	0.0173
Onchocerca volvulus		0.0039	0.0758	0.4335
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0243	0.0243
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.013	0.3451	0.3451
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0054	0.121	0.3374
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0307	0.0199
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0468	0.0701
Brugia malayi	beta-lactamase family protein	0.0039	0.0758	0.2068
Schistosoma mansoni	importin beta-1	0.0029	0.0468	0.0231
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0042	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.087
Plasmodium falciparum	importin beta, putative	0.0029	0.0468	0.0755
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0468	0.0468
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0758	0.1728
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0068	0.163	0.1416
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.2457	0.2819
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.087
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2457	0.2457
Schistosoma mansoni	hypothetical protein	0.0036	0.0678	0.0446
Trypanosoma cruzi	GMP reductase	0.013	0.3451	1
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.013	0.3451	0.4376
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.087
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0243	0.058
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.087
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0468	0.0701
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0122	0.3224	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0307	0.0199
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0307	0.1239
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0758	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0412	0.0473
Leishmania major	hypothetical protein, conserved	0.0039	0.0758	0.1605
Entamoeba histolytica	hypothetical protein	0.0036	0.0678	1
Trypanosoma cruzi	GMP reductase	0.013	0.3451	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2457	0.2457
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0062	0.1437	0.2523
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0678	0.0678
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0243	0.0243
Onchocerca volvulus		0.0039	0.0758	0.4335
Brugia malayi	hypothetical protein	0.0036	0.0678	0.1838
Toxoplasma gondii	IMP dehydrogenas	0.013	0.3451	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0307	0.1239
Echinococcus multilocularis	geminin	0.0351	1	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0307	0.8714	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0412	0.0412
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2457	0.2457
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0068	0.163	0.3236
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0468	0.0468
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.013	0.3451	1
Echinococcus multilocularis	lamin	0.0027	0.0412	0.0412
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.013	0.3451	0.3288
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.013	0.3451	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0307	0.1239
Entamoeba histolytica	hypothetical protein	0.0036	0.0678	1
Schistosoma mansoni	hypothetical protein	0.0351	1	1
Toxoplasma gondii	ABC1 family protein	0.0039	0.0758	0.1605
Schistosoma mansoni	hypothetical protein	0.0351	1	1
Leishmania major	guanosine monophosphate reductase	0.013	0.3451	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2457	0.2457
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.2457	0.6979
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.3502	0.4019
Trichomonas vaginalis	esterase, putative	0.0039	0.0758	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0468	0.0701
Brugia malayi	GMP reductase	0.0054	0.121	0.3374
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0758	0.1605
Entamoeba histolytica	hypothetical protein	0.0036	0.0678	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0412	0.0412
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0758	0.087
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.013	0.3451	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0412	0.0473
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0243	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.3502	0.4019
Entamoeba histolytica	hypothetical protein	0.0036	0.0678	1
Onchocerca volvulus	Putative GMP reductase	0.0054	0.121	1
Schistosoma mansoni	lamin	0.0027	0.0412	0.0173
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2457	0.2269
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0758	0.0758
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0243	0.0279
Loa Loa (eye worm)	IMP dehydrogenase 1	0.013	0.3451	0.3961
Trypanosoma brucei	GMP reductase	0.013	0.3451	1
Echinococcus granulosus	lamin	0.0027	0.0412	0.0412
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0758	0.2068
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.013	0.3451	1
Echinococcus granulosus	lamin dm0	0.0027	0.0412	0.0412
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0758	0.0528
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0412	0.1069
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0758	1
Loa Loa (eye worm)	GMP reductase	0.0054	0.121	0.1388
Entamoeba histolytica	hypothetical protein	0.0023	0.0307	0.1466
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.013	0.3451	0.9854
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0678	0.0678
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.013	0.3451	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0758	0.1605
Leishmania major	inosine-5-monophosphate dehydrogenase	0.013	0.3451	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0468	0.0755
Onchocerca volvulus		0.0039	0.0758	0.4335
Brugia malayi	beta-lactamase family protein	0.0039	0.0758	0.2068
Echinococcus multilocularis	musashi	0.0027	0.0412	0.0412
Schistosoma mansoni	hypothetical protein	0.0307	0.8714	0.8682
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.087
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0412	0.0473
Schistosoma mansoni	lamin	0.0027	0.0412	0.0173
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0758	0.0528
Brugia malayi	RNA, U transporter 1	0.0082	0.2039	0.5772
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.013	0.3451	1
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0062	0.1437	0.2523
Brugia malayi	beta-lactamase	0.0039	0.0758	0.2068
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0758	0.1605
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0054	0.121	0.3374
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.6913	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0468	0.0537
Echinococcus multilocularis	snurportin 1	0.0307	0.8714	0.8714
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0758	1
Brugia malayi	Importin beta-1 subunit	0.0029	0.0468	0.123
Brugia malayi	MH2 domain containing protein	0.0131	0.3502	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0398	0.0456
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2457	0.2269
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.013	0.3451	1
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0758	0.087
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0758	1
Echinococcus granulosus	snurportin 1	0.0307	0.8714	0.8714

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

ChEMBL: CHEMBL1181080

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1213384