TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 449.499 | Formula: C25H27N3O5
H donors: 2 H acceptors: 3 LogP: 3.37 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNC(=O)c1cn(Cc2ccc(o2)C)cc(c1=O)C(=O)NCCc1cccc(c1)OC
InChi: 1S/C25H27N3O5/c1-4-11-26-24(30)21-15-28(14-20-9-8-17(2)33-20)16-22(23(21)29)25(31)27-12-10-18-6-5-7-19(13-18)32-3/h4-9,13,15-16H,1,10-12,14H2,2-3H3,(H,26,30)(H,27,31)
InChiKey: NQKABBXHHHKCTO-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
Schistosoma mansoni	Smad4	0.0033	0.0287	0.0423
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2673	0.3948
Echinococcus granulosus	Smad4	0.0033	0.0287	0.0628
Echinococcus granulosus	GPCR family 2	0.0218	0.3024	0.6629
Schistosoma mansoni	Smad4	0.0015	0.0015	0.0022
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0192	0.2645	1
Schistosoma mansoni	hypothetical protein	0.0218	0.3024	0.4466
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0218	0.3024	0.6629
Trypanosoma cruzi	PAB1-binding protein , putative	0.0201	0.2783	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0321	0.4562	0.6737
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0014	0	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0201	0.2783	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0321	0.4562	0.4562
Schistosoma mansoni	Smad4	0.0015	0.0015	0.0022
Loa Loa (eye worm)	nuclear factor I	0.0018	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2783	0.2783
Brugia malayi	latrophilin 2 splice variant baaae	0.047	0.6771	0.6771
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0028	0.0041
Brugia malayi	RNA binding protein	0.0194	0.2673	0.2673
Schistosoma mansoni	hypothetical protein	0.0218	0.3024	0.4466
Loa Loa (eye worm)	MH1 domain-containing protein	0.0015	0.0015	0.0015
Brugia malayi	Latrophilin receptor protein 2	0.0218	0.3024	0.3024
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0028	0.006
Loa Loa (eye worm)	hypothetical protein	0.0688	1	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.009	0.1135	0.2489
Schistosoma mansoni	smad	0.0033	0.0287	0.0423
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0218	0.3024	0.3024
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0015	0.0015
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0287	0.0287
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0028	0.0028
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0218	0.3024	0.6629
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0218	0.3024	0.6629
Brugia malayi	MH2 domain containing protein	0.0015	0.0015	0.0015
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0688	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0486	0.7006	0.7006
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0028	0.0028
Entamoeba histolytica	G protein alpha subunit, putative	0.0014	0	0.5
Brugia malayi	TAR-binding protein	0.0194	0.2673	0.2673
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0	0.5
Brugia malayi	MH1 domain containing protein	0.0018	0.0067	0.0067
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0688	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0028	0.006
Echinococcus granulosus	mothers against decapentaplegic 2	0.0015	0.0015	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.009	0.1135	0.1677
Echinococcus multilocularis	tar DNA binding protein	0.0194	0.2673	0.5859
Loa Loa (eye worm)	MH2 domain-containing protein	0.0015	0.0015	0.0015
Plasmodium vivax	ataxin-2 like protein, putative	0.0201	0.2783	1
Brugia malayi	MH1 domain containing protein	0.0018	0.0067	0.0067
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0028	0.006
Loa Loa (eye worm)	hypothetical protein	0.047	0.6771	0.6771
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0321	0.4562	1
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0015	0.0015	0.0033
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0028	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0218	0.3024	0.6629
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2673	0.3948
Plasmodium falciparum	ataxin-2 like protein, putative	0.0201	0.2783	1
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0192	0.2645	0.2645
Echinococcus granulosus	mothers against decapentaplegic 5	0.0033	0.0287	0.0628
Loa Loa (eye worm)	Smad1	0.0033	0.0287	0.0287
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0218	0.3024	0.3024
Brugia malayi	mothers against decapentaplegic homolog 3	0.0015	0.0015	0.0015
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0	0.5
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0028	0.006
Loa Loa (eye worm)	MH2 domain-containing protein	0.0486	0.7006	0.7006
Toxoplasma gondii	LsmAD domain-containing protein	0.0201	0.2783	1
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0287	0.0423
Loa Loa (eye worm)	RNA binding protein	0.0194	0.2673	0.2673
Brugia malayi	MH2 domain containing protein	0.0033	0.0287	0.0287
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0028	0.0028
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0	0.5
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0014	0	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0194	0.2673	0.2673
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2673	0.3948
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0033	0.0287	0.0628
Brugia malayi	RNA recognition motif domain containing protein	0.0194	0.2673	0.2673
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0321	0.4562	0.6737
Schistosoma mansoni	hypothetical protein	0.0218	0.3024	0.4466
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0015	0.0015	0.0033
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0287	0.0287
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.009	0.1135	0.2489
Brugia malayi	hypothetical protein	0.0201	0.2783	0.2783
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2673	0.3948
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0014	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0321	0.4562	0.6737
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0028	0.006
Loa Loa (eye worm)	hypothetical protein	0.0218	0.3024	0.3024
Schistosoma mansoni	hypothetical protein	0.047	0.6771	1
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0287	0.0423
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0033	0.0287	0.0423
Brugia malayi	MH2 domain containing protein	0.0486	0.7006	0.7006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0321	0.4562	1
Brugia malayi	hypothetical protein	0.013	0.1724	0.1724
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0287	0.0423
Echinococcus granulosus	smad	0.0033	0.0287	0.0628
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0	0.5
Schistosoma mansoni	hypothetical protein	0.0218	0.3024	0.4466
Echinococcus multilocularis	GPCR, family 2	0.0218	0.3024	0.6629
Echinococcus multilocularis	smad	0.0033	0.0287	0.0628
Schistosoma mansoni	smad	0.0015	0.0015	0.0022
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0033	0.0287	0.0628
Plasmodium falciparum	ataxin-2 like protein, putative	0.0201	0.2783	1
Echinococcus multilocularis	Smad4	0.0033	0.0287	0.0628
Brugia malayi	N-terminal motif family protein	0.0192	0.2645	0.2645
Brugia malayi	MH1 domain containing protein	0.0033	0.0287	0.0287
Loa Loa (eye worm)	TAR-binding protein	0.0194	0.2673	0.2673
Brugia malayi	MH2 domain containing protein	0.0033	0.0287	0.0287
Echinococcus granulosus	mothers against decapentaplegic 6	0.0015	0.0015	0.0033
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0321	0.4562	0.4562
Brugia malayi	MH1 domain containing protein	0.0033	0.0287	0.0287
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0028	0.006
Trypanosoma cruzi	PAB1-binding protein , putative	0.0201	0.2783	1
Leishmania major	hypothetical protein, conserved	0.0201	0.2783	1
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0015	0.0015	0.0056
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0321	0.4562	1
Echinococcus granulosus	tar DNA binding protein	0.0194	0.2673	0.5859
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0033	0.0287	0.0628
Brugia malayi	Smad1	0.0033	0.0287	0.0287
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.2673	0.3948
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0321	0.4562	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 904537