TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 479.009 | Formula: C25H35ClN2O5
H donors: 0 H acceptors: 1 LogP: 4.03 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)CCN(CCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C.Cl
InChi: 1S/C25H34N2O5.ClH/c1-26(10-8-18-6-7-21(29-2)22(14-18)30-3)12-13-27-11-9-19-15-23(31-4)24(32-5)16-20(19)17-25(27)28;/h6-7,14-16H,8-13,17H2,1-5H3;1H
InChiKey: QNZVOHKKIUNRJJ-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	hypothetical protein	0.0031	0.1527	0.2976
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0	0.5
Echinococcus granulosus	GPCR family 2	0.0031	0.1527	0.3346
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.824	0.824
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4565	0.8893
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.1527	0.1527
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.1527	0.1527
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4565	0.8893
Echinococcus multilocularis	GPCR, family 2	0.0031	0.1527	0.3346
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.4565	0.4565
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.1527	0.3346
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0067	0.5133	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.824	0.824
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.4565	0.4565
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0	0.5
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0	0.5
Brugia malayi	TAR-binding protein	0.0062	0.4565	0.4565
Schistosoma mansoni	hypothetical protein	0.0031	0.1527	0.2976
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.4565	0.4565
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.4565	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4565	0.8893
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.1527	0.3346
Loa Loa (eye worm)	hypothetical protein	0.0099	0.824	0.824
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4565	0.8893
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.824	0.824
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.1527	0.3346
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.1527	0.2976
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.1527	0.1527
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4565	0.8893
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1527	0.1527
Brugia malayi	RNA binding protein	0.0062	0.4565	0.4565
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.5133	0.5133
Loa Loa (eye worm)	RNA binding protein	0.0062	0.4565	0.4565
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.1527	0.3346
Schistosoma mansoni	hypothetical protein	0.0031	0.1527	0.2976
Loa Loa (eye worm)	hypothetical protein	0.0067	0.5133	0.5133
Echinococcus granulosus	tar DNA binding protein	0.0062	0.4565	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

ChEMBL: CHEMBL554681

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 1046858