TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 477.599 | Formula: C27H35N5O3
H donors: 3 H acceptors: 3 LogP: 5.64 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(NCCOc2ccccc2)nc(c1)N[C@H](C(=O)NCCOc1ccccc1)CC(C)C
InChi: 1S/C27H35N5O3/c1-20(2)18-24(26(33)28-14-16-34-22-10-6-4-7-11-22)31-25-19-21(3)30-27(32-25)29-15-17-35-23-12-8-5-9-13-23/h4-13,19-20,24H,14-18H2,1-3H3,(H,28,33)(H2,29,30,31,32)/t24-/m0/s1
InChiKey: XEZZHYVOBKIFAP-DEOSSOPVSA-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	nuclear hormone receptor nor-1/nor-2	0.0034	0.0209	0.0209
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0047	0.0373	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0209	0.5608
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0094	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0034	0.0209	0.0209
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0034	0.0209	0.0209
Echinococcus granulosus	ecdysone induced protein 78C	0.0034	0.0209	0.0209
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0034	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0373	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.0373	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0034	0.0209	0.0209
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.0218	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0034	0.0209	0.5608
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.0209	0.0209
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0034	0.0209	0.5608
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0125	0.1138
Schistosoma mansoni	thyroid hormone receptor	0.0464	0.5738	0.5738
Schistosoma mansoni	microtubule-associated protein tau	0.0795	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0125	0.1138
Schistosoma mansoni	retinoic acid receptor RXR	0.0034	0.0209	0.0209
Schistosoma mansoni	hypothetical protein	0.043	0.5294	0.5294
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0209	0.5608
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0034	0.0209	0.0209
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0034	0.0209	0.0209
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0209	0.5608
Brugia malayi	hypothetical protein	0.0041	0.0299	0.8012
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0047	0.0373	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0034	0.0209	0.5608
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.043	0.5294	0.5294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0047	0.0373	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0034	0.0209	0.5608
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0034	0.0209	0.0209
Schistosoma mansoni	hypothetical protein	0.0041	0.0299	0.0299
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0034	0.0209	0.5608
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0299	0.0299
Brugia malayi	Steroid receptor seven-up type 2	0.0034	0.0209	0.5608
Echinococcus multilocularis	microtubule associated protein 2	0.0795	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0034	0.0209	0.5608
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0034	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0094	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0373	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0129	0.1267
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.0373	1
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0299	0.0299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0249	0.556
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0047	0.0373	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0034	0.0209	0.0209
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0209	0.5608
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0047	0.0373	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0034	0.0209	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0209	0.5608
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0047	0.0373	0.0373
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0373	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0034	0.0209	0.5608
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0034	0.0209	0.5608
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0034	0.0209	0.5
Brugia malayi	ecdysteroid receptor	0.0034	0.0209	0.5608
Brugia malayi	nuclear hormone receptor	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0249	0.556
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0034	0.0209	0.0209
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0047	0.0373	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0209	0.0209
Brugia malayi	steroid hormone receptor	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0249	0.556
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0034	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0249	0.556
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0053	0.0985
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0047	0.0373	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.016	0.2387
Onchocerca volvulus	Bile acid receptor homolog	0.0034	0.0209	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.0249	0.6514
Echinococcus multilocularis	ecdysone induced protein 78C	0.0034	0.0209	0.0209
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0034	0.0209	0.5608
Schistosoma mansoni	coup transcription factor	0.0034	0.0209	0.0209
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.043	0.5294	0.5294
Schistosoma mansoni	thyroid hormone receptor	0.0464	0.5738	0.5738
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0047	0.0373	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0034	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Giardia lamblia	GTOR	0.0047	0.0373	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0284	0.6827
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0249	0.556
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0209	0.5608
Loa Loa (eye worm)	steroid hormone receptor	0.0034	0.0209	0.5608
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0034	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0129	0.1267
Brugia malayi	nuclear receptor NHR-88	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0129	0.1267
Brugia malayi	photoreceptor-specific nuclear receptor	0.0034	0.0209	0.5608
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0034	0.0209	0.5608
Echinococcus multilocularis	FTZ F1 alpha	0.0034	0.0209	0.0209
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0209	0.5608
Echinococcus granulosus	FTZ F1 alpha	0.0034	0.0209	0.0209
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0047	0.0373	0.0373
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0047	0.0373	0.0373
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0173	0.2856
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0034	0.0209	0.0209
Onchocerca volvulus		0.0034	0.0209	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0034	0.0209	0.0209
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0299	0.0299
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0209	0.5608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0094	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0094	0.0018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0034	0.0209	0.5608
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0218	0.444
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0464	0.5738	0.5738

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: CHEMBL546385

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 1039987