TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 686.822 | Formula: C34H35FN8O3S2
H donors: 2 H acceptors: 5 LogP: 5.03 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: Fc1cccc(c1)NC(=O)NC(C(=O)N1CCN(CC1)c1nsc2c1cccc2)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2
InChi: 1S/C34H35FN8O3S2/c35-23-6-5-7-24(22-23)36-34(46)37-27(33(45)43-20-18-42(19-21-43)32-26-9-2-4-11-29(26)48-39-32)12-13-30(44)40-14-16-41(17-15-40)31-25-8-1-3-10-28(25)47-38-31/h1-11,22,27H,12-21H2,(H2,36,37,46)
InChiKey: PQHRVWNLJPLXSB-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
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0814	0.0907
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0059	0.6315	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0814	0.0814
Brugia malayi	Cytochrome P450 family protein	0.0032	0.2484	0.2768
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0814	0.0907
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0814	0.0907
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.268	0.2987
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0814	0.0907
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0814	0.0907
Brugia malayi	steroid hormone receptor	0.0021	0.0814	0.0907
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0814	0.0907
Brugia malayi	Cytochrome P450 family protein	0.0032	0.2484	0.2768
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0814	0.0814
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.2484	0.2768
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0059	0.6315	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1028	0.1145
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0814	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0814	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0814	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0814	0.0907
Schistosoma mansoni	voltage-gated potassium channel	0.0084	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0814	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0814	0.0907
Giardia lamblia	Rrm3p helicase	0.0059	0.6315	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0022	0.1028	0.1145
Schistosoma mansoni	coup transcription factor	0.0021	0.0814	0.0814
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0814	0.0907
Onchocerca volvulus	Protein ultraspiracle homolog	0.0021	0.0814	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.8236	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0814	0.0907
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0814	0.0814
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0814	0.0814
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.2484	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.6315	0.7667
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0814	0.0907
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0814	0.0814
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0814	0.0907
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0814	0.0907
Echinococcus granulosus	voltage gated potassium channel	0.0022	0.1028	0.1145
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0059	0.6315	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0814	0.0907
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0059	0.6315	0.7038
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0814	0.0907
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0814	0.0907
Entamoeba histolytica	hypothetical protein, conserved	0.0059	0.6315	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0814	0.0907
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0814	0.0907
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0814	0.0907
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.2484	0.2768
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0392	0.0437
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0814	0.0907
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0814	0.0814
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0059	0.6315	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0077	0.8972	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0814	0.0907
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.1028	0.1028
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.8236	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0022	0.1028	0.1145
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0814	0.0907
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0059	0.6315	0.5
Onchocerca volvulus		0.0021	0.0814	0.5
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0059	0.6315	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0814	0.0814
Schistosoma mansoni	hypothetical protein	0.0059	0.6315	0.6315
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0814	0.0907
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0814	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0814	0.0907
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0814	0.0907
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0814	0.0907
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0814	0.0907
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0814	0.0907
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.0059	0.6315	0.7038
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0814	0.0907
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0022	0.1028	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0814	0.0814
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0814	0.0814
Onchocerca volvulus	Bile acid receptor homolog	0.0021	0.0814	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0814	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0059	0.6315	1
Brugia malayi	Cytochrome P450 family protein	0.0034	0.268	0.2987
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0077	0.8972	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0814	0.0907
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0814	0.0907
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0814	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0067	0.7495	0.8354
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0077	0.8972	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0814	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0814	0.0907
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0814	0.0907
Echinococcus multilocularis	voltage gated potassium channel	0.0022	0.1028	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0077	0.8972	1
Brugia malayi	nuclear hormone receptor	0.0021	0.0814	0.0907
Brugia malayi	ecdysteroid receptor	0.0021	0.0814	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0814	0.0907
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0021	0.0814	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0814	0.0907
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.1028	0.1028
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0814	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0814	0.0907
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0814	0.0814
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0059	0.6315	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.2484	0.2768
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0814	0.0907

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: CHEMBL2403037

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1776787