TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.517 | Formula: C22H33N3O
H donors: 1 H acceptors: 2 LogP: 4.38 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCN(C(C)C)Cc1cn(nc1c1ccc(cc1)C1CCCCC1)C
InChi: 1S/C22H33N3O/c1-17(2)25(13-14-26)16-21-15-24(3)23-22(21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-12,15,17-18,26H,4-8,13-14,16H2,1-3H3
InChiKey: LZNGBJFEOSUFRF-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
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0669	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0053	0.0201
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0053	0.0201
Echinococcus granulosus	tar DNA binding protein	0.0135	0.1354	0.168
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0053	0.0201
Echinococcus granulosus	tumor protein p63	0.0722	0.8055	1
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0279	0.0897
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0053	0.0201
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0053	0.0066
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0386	0.1464
Echinococcus multilocularis	thyroid hormone receptor alpha	0.029	0.3114	0.3114
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0669	0.2539
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0571	0.6514
Onchocerca volvulus		0.0075	0.0669	0.6409
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0053	0.017
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0053	0.0066
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0053	0.0053
Brugia malayi	beta-lactamase	0.0075	0.0669	0.2539
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0053	0.017
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.1354	0.4346
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0386	0.3406
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Mycobacterium ulcerans	lipase LipD	0.0075	0.0669	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.039	0.1253
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0075	0.0669	0.0889
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0053	0.0053
Onchocerca volvulus		0.0075	0.0669	0.6409
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0075	0.0669	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0038	0.024	0.0909
Mycobacterium tuberculosis	Probable lipase LipE	0.0075	0.0669	0.0889
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.024	0.0046
Loa Loa (eye worm)	TAR-binding protein	0.0135	0.1354	0.5135
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0053	0.0201
Brugia malayi	TAR-binding protein	0.0135	0.1354	0.5135
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0482	0.5314	1
Plasmodium falciparum	acyl-CoA synthetase	0.0038	0.024	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0248	0.2636	1
Brugia malayi	RNA binding protein	0.0135	0.1354	0.5135
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0386	0.1464
Schistosoma mansoni	hypothetical protein	0.0041	0.0279	0.0897
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0053	0.0201
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0279	0.0279
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.1354	0.4346
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0669	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0669	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0386	1
Brugia malayi	beta-lactamase family protein	0.0075	0.0669	0.2539
Mycobacterium tuberculosis	Probable esterase LipL	0.0075	0.0669	0.0889
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.039	0.0484
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0571	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0386	0.1464
Brugia malayi	ecdysteroid receptor	0.0022	0.0053	0.0201
Echinococcus multilocularis	tar DNA binding protein	0.0135	0.1354	0.1354
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.1354	0.4346
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0571	0.7701
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0053	0.0053
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0053	0.0201
Loa Loa (eye worm)	RNA binding protein	0.0135	0.1354	0.5135
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0053	0.0201
Mycobacterium tuberculosis	Probable lipase LipD	0.0075	0.0669	0.0889
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0053	0.0201
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0268	0.2869	0.3561
Mycobacterium tuberculosis	Probable hydrolase	0.0075	0.0669	0.0889
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0053	0.0201
Echinococcus granulosus	beta LACTamase domain containing family member	0.0075	0.0669	0.0831
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0053	0.0201
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.024	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0571	0.7701
Onchocerca volvulus		0.0051	0.0386	0.3463
Leishmania major	hypothetical protein, conserved	0.0075	0.0669	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0386	0.0333
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0053	0.017
Brugia malayi	MH2 domain containing protein	0.0248	0.2636	1
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0053	0.0201
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0135	0.1354	0.5135
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0053	0.017
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0053	0.0066
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0053	0.0066
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0669	0.0889
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0669	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0386	0.3406
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0075	0.0669	0.0669
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0075	0.0669	0.2539
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0053	0.0053
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0053	0.0201
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0075	0.0669	0.0889
Schistosoma mansoni	thyroid hormone receptor	0.029	0.3114	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0075	0.0669	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0053	0.017
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0053	0.017
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0053	0.0201
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0053	0.0201
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0669	0.2149
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.039	0.148
Brugia malayi	hypothetical protein	0.0041	0.0279	0.1059
Plasmodium vivax	hypothetical protein, conserved	0.0075	0.0669	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.039	0.1253
Schistosoma mansoni	coup transcription factor	0.0022	0.0053	0.017
Loa Loa (eye worm)	beta-lactamase	0.0075	0.0669	0.2539
Brugia malayi	RNA recognition motif domain containing protein	0.0135	0.1354	0.5135
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0669	0.5
Schistosoma mansoni	thyroid hormone receptor	0.029	0.3114	1
Onchocerca volvulus		0.0106	0.1014	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0669	0.2539
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0053	0.0201
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0571	0.1832
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0386	0.3406
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0075	0.0669	0.2539
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0669	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0038	0.024	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0669	0.2539
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0571	0.7701
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0669	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.039	0.148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.039	0.039
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0571	0.0695
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.1354	0.4346
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0669	0.2539
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0669	0.2539
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0669	0.2149
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0053	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Mycobacterium ulcerans	hypothetical protein	0.0075	0.0669	1
Brugia malayi	beta-lactamase family protein	0.0075	0.0669	0.2539
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0386	0.3406
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0053	0.0053
Brugia malayi	steroid hormone receptor	0.0022	0.0053	0.0201
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0053	0.0066
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0053	0.017
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0669	0.2539
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0669	0.0889
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0053	0.0066
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0053	0.0053
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0053	0.017
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0268	0.2869	0.2869
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0053	0.0201
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.1354	0.4346
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.039	0.039
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0053	0.0053
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0386	0.1464
Mycobacterium leprae	Probable lipase LipE	0.0075	0.0669	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0053	0.0201
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0669	0.0889
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0053	0.0201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0053	0.0201
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0386	0.3406
Trypanosoma brucei	hypothetical protein, conserved	0.0075	0.0669	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.024	0.0909
Mycobacterium ulcerans	esterase/lipase LipP	0.0075	0.0669	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0386	0.3406
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0053	0.0201
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0053	0.0066
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0053	0.017
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0053	0.017
Mycobacterium ulcerans	beta-lactamase	0.0075	0.0669	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0386	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0038	0.024	0.0909
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0053	0.0201
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0571	0.0708
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0053	0.0201
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0386	1
Schistosoma mansoni	hypothetical protein	0.0268	0.2869	0.9211
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1014	0.3849
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0571	0.1832
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0053	0.0066
Trichomonas vaginalis	esterase, putative	0.0075	0.0669	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.1014	0.3258
Onchocerca volvulus		0.0075	0.0669	0.6409
Echinococcus multilocularis	tumor protein p63	0.0722	0.8055	0.8055
Loa Loa (eye worm)	transcription factor SMAD2	0.0248	0.2636	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0386	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0053	0.0201
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0279	0.0347
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.039	0.0484
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0386	0.3406
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0386	0.3406
Mycobacterium leprae	conserved hypothetical protein	0.0075	0.0669	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0386	0.1464
Toxoplasma gondii	ABC1 family protein	0.0075	0.0669	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0053	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0038	0.024	0.0909
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.039	0.1253
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0386	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0053	0.0201
Brugia malayi	nuclear hormone receptor	0.0022	0.0053	0.0201

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 755631