TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 680.71 | Formula: C35H36N8O7
H donors: 5 H acceptors: 7 LogP: 2.47 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COCCCn1c(=O)[nH]c2c1ccc(c2)C(=O)NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)Oc1ccccc1
InChi: 1S/C35H36N8O7/c1-48-15-5-14-42-26-13-10-22(16-25(26)41-35(42)47)33(46)37-18-27-29(44)30(45)34(50-27)43-20-40-28-31(38-19-39-32(28)43)36-17-21-8-11-24(12-9-21)49-23-6-3-2-4-7-23/h2-4,6-13,16,19-20,27,29-30,34,44-45H,5,14-15,17-18H2,1H3,(H,37,46)(H,41,47)(H,36,38,39)/t27-,29-,30-,34-/m1/s1
InChiKey: QFZZRKDHPVSENZ-WIFIACMTSA-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
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1054	0.4454
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.2021	0.8541
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0042	0.0271	0.0983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Schistosoma mansoni	hypothetical protein	0.0388	0.7545	0.8947
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0141	0.2367	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.1388	0.5829
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.1054	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0067	0.08	0.207
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0095	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.0271	0.0983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0997	0.4161
Schistosoma mansoni	lamin	0.0058	0.0604	0.0612
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0042	0.0271	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0391	0.1579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.117	0.4901
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0042	0.0271	0.1145
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.0271	0.0983
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0388	0.7545	0.8924
Mycobacterium ulcerans	hypothetical protein	0.0079	0.1054	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1759	0.7408
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0042	0.0271	0.0983
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0042	0.0271	0.0212
Loa Loa (eye worm)	beta-lactamase	0.0079	0.1054	0.4454
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0978	0.0868
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.1054	0.4405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.1054	0.0961
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0042	0.0271	0.1145
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0141	0.2367	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0042	0.0271	0.1145
Mycobacterium ulcerans	lipase LipD	0.0079	0.1054	0.5
Echinococcus granulosus	lamin	0.0058	0.0604	0.0458
Brugia malayi	Nuclear hormone receptor-like 1	0.0042	0.0271	0.0983
Loa Loa (eye worm)	phosphatidylinositol 3	0.0141	0.2367	1
Toxoplasma gondii	ABC1 family protein	0.0079	0.1054	0.6523
Onchocerca volvulus		0.0058	0.0604	0.4254
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1759	0.7408
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.0271	0.0212
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0419	0.1619
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.0271	0.0983
Brugia malayi	Steroid receptor seven-up type 2	0.0042	0.0271	0.0983
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0141	0.2367	0.2729
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.1054	0.4405
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1054	0.4454
Schistosoma mansoni	RAR-like nuclear receptor	0.0042	0.0271	0.0212
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0141	0.2367	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0042	0.0271	0.0212
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.2021	0.8541
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0997	0.4161
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.1054	0.3357
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0141	0.2367	1
Echinococcus granulosus	intermediate filament protein	0.0058	0.0604	0.0458
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.1054	0.4405
Brugia malayi	beta-lactamase family protein	0.0079	0.1054	0.4353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.117	0.4901
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0141	0.2367	0.2572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.1153	0.4826
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0997	0.4161
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0978	0.0973
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0604	0.0612
Echinococcus granulosus	lamin dm0	0.0058	0.0604	0.0458
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0042	0.0271	0.1145
Schistosoma mansoni	thyroid hormone receptor	0.043	0.8421	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.2367	1
Brugia malayi	MH2 domain containing protein	0.0125	0.2021	0.8514
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0042	0.0271	0.0212
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0141	0.2367	1
Giardia lamblia	GTOR	0.0141	0.2367	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0419	0.1619
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.1153	0.4826
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.1054	0.4405
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0047	0.0391	0.0356
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.0391	0.1652
Brugia malayi	nuclear hormone receptor	0.0042	0.0271	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1054	0.4454
Schistosoma mansoni	hypothetical protein	0.0075	0.0978	0.1061
Onchocerca volvulus		0.0079	0.1054	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0042	0.0271	0.1145
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0113	0.1761	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.2367	1
Brugia malayi	intermediate filament protein	0.0058	0.0604	0.2417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0391	0.1579
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.1054	0.4454
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Brugia malayi	ecdysteroid receptor	0.0042	0.0271	0.0983
Trichomonas vaginalis	esterase, putative	0.0079	0.1054	0.4405
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.1054	0.1152
Brugia malayi	steroid hormone receptor	0.0042	0.0271	0.0983
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0042	0.0271	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0582	0.2459
Loa Loa (eye worm)	hypothetical protein	0.003	0.0021	0.0087
Schistosoma mansoni	thyroid hormone receptor	0.043	0.8421	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Onchocerca volvulus		0.0079	0.1054	1
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0978	0.1061
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0388	0.7545	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0042	0.0271	0.0212
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0105	0.1605	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0042	0.0271	0.0983
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0141	0.2367	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0042	0.0271	0.1145
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0042	0.0271	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0604	0.2553
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0604	0.2553
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.0391	0.15
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.117	0.4901
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.1054	0.4353
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0604	0.2417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0999	0.4171
Echinococcus multilocularis	lamin	0.0058	0.0604	0.0409
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.1054	0.3357
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0604	0.2553
Schistosoma mansoni	retinoic acid receptor RXR	0.0042	0.0271	0.0212
Brugia malayi	nuclear receptor NHR-88	0.0042	0.0271	0.0983
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0113	0.1761	0.6934
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.1054	0.1077
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1759	0.7408
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0141	0.2367	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.043	0.8421	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0095	0.04
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.1054	0.3357
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0141	0.2367	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0999	0.4171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.1932	0.8147
Leishmania major	hypothetical protein, conserved	0.0079	0.1054	0.3357
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.0271	0.0983
Brugia malayi	beta-lactamase family protein	0.0079	0.1054	0.4353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1759	0.7408
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0391	0.1579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0192	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0042	0.0179
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0042	0.0271	0.0983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0999	0.4171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0999	0.4171
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0419	0.1769
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0079	0.1054	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0042	0.0271	0.1145
Mycobacterium ulcerans	beta-lactamase	0.0079	0.1054	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0042	0.0271	0.1145
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.0271	0.0983
Echinococcus multilocularis	lamin dm0	0.0058	0.0604	0.0409
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0141	0.2367	0.2881
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.0271	0.0983
Onchocerca volvulus		0.0058	0.0604	0.4254
Trypanosoma cruzi	target of rapamycin kinase 3	0.0113	0.1761	0.6934
Brugia malayi	photoreceptor-specific nuclear receptor	0.0042	0.0271	0.0983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.2367	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0092	0.1324	0.5555
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1054	0.4454
Schistosoma mansoni	coup transcription factor	0.0042	0.0271	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0271	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0391	0.1579
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0042	0.0271	0.0983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0391	0.1579
Echinococcus multilocularis	musashi	0.0058	0.0604	0.0409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1759	0.7408
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0042	0.0271	0.0983
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.1054	0.4405
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0042	0.0271	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1605	0.6753
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0047	0.0391	0.0165
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.1054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1054	0.4454
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0141	0.2367	1
Brugia malayi	beta-lactamase	0.0079	0.1054	0.4353
Schistosoma mansoni	lamin	0.0058	0.0604	0.0612
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0059	0.0629	0.1204
Mycobacterium ulcerans	esterase/lipase LipP	0.0079	0.1054	0.5
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0047	0.0391	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1054	0.4454
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0419	0.1769
Onchocerca volvulus		0.0079	0.1054	1
Mycobacterium leprae	Probable lipase LipE	0.0079	0.1054	0.5
Brugia malayi	hypothetical protein	0.0075	0.0978	0.4027
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.1054	0.1152

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: CHEMBL499457

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 1190143