TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 618.421 | Formula: C32H32Cl4N2O2
H donors: 1 H acceptors: 0 LogP: 8.47 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: NCCCCN(Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl
InChi: 1S/C32H32Cl4N2O2/c33-29-13-7-25(17-31(29)35)21-39-27-9-3-23(4-10-27)19-38(16-2-1-15-37)20-24-5-11-28(12-6-24)40-22-26-8-14-30(34)32(36)18-26/h3-14,17-18H,1-2,15-16,19-22,37H2
InChiKey: GYAMCIYFMGAHKT-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	Smad1	0.0017	0.0043	0.0103
Schistosoma mansoni	hypothetical protein	0.0081	0.0763	0.0878
Echinococcus multilocularis	tar DNA binding protein	0.0339	0.3674	0.3647
Echinococcus granulosus	tumor protein p63	0.0729	0.8076	0.9793
Schistosoma mansoni	hypothetical protein	0.0071	0.0653	0.0745
Entamoeba histolytica	hypothetical protein	0.0081	0.0763	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0339	0.3674	0.4427
Loa Loa (eye worm)	transcription factor SMAD2	0.0254	0.2718	0.6537
Onchocerca volvulus		0.0107	0.1051	0.2436
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0058	0.0019
Schistosoma mansoni	hypothetical protein	0.0033	0.022	0.0217
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0019	0.0058	0.0016
Echinococcus multilocularis	segment polarity protein dishevelled	0.0019	0.0058	0.0016
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.022	0.0178
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0318	0.0336
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1027	0.2482
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0318	0.0277
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0081	0.0763	0.0724
Brugia malayi	MH1 domain containing protein	0.0017	0.0043	0.0103
Schistosoma mansoni	tar DNA-binding protein	0.0339	0.3674	0.4427
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0058	0.0016
Brugia malayi	TAR-binding protein	0.0339	0.3674	0.8882
Schistosoma mansoni	tar DNA-binding protein	0.0339	0.3674	0.4427
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0058	0.0019
Toxoplasma gondii	LsmAD domain-containing protein	0.0021	0.0084	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0038
Schistosoma mansoni	hypothetical protein	0.0033	0.022	0.0217
Entamoeba histolytica	hypothetical protein	0.0081	0.0763	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.022	0.0434
Plasmodium falciparum	ataxin-2 like protein, putative	0.0021	0.0084	0.5
Brugia malayi	hypothetical protein	0.0021	0.0084	0.0203
Echinococcus multilocularis	geminin	0.0744	0.8246	0.8238
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.038	0.4136	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0021	0.0084	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.022	0.0217
Brugia malayi	MH2 domain containing protein	0.0254	0.2718	0.6572
Loa Loa (eye worm)	MH2 domain-containing protein	0.0254	0.2718	0.6537
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1051	0.2464
Schistosoma mansoni	tar DNA-binding protein	0.0339	0.3674	0.4427
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0339	0.3674	0.8871
Brugia malayi	MH2 domain containing protein	0.0017	0.0043	0.0103
Brugia malayi	N-terminal motif family protein	0.038	0.4136	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0084	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0339	0.3674	0.8882
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.022	0.0178
Schistosoma mansoni	hypothetical protein	0.0744	0.8246	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0042	0.0318	0.077
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.022	0.0532
Plasmodium falciparum	ataxin-2 like protein, putative	0.0021	0.0084	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0019	0.0058	0.0019
Echinococcus multilocularis	tumor protein p63	0.0729	0.8076	0.8068
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0318	0.0336
Schistosoma mansoni	dishevelled	0.0019	0.0058	0.0019
Schistosoma mansoni	dishevelled	0.0019	0.0058	0.0019
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0042	0.0318	0.0674
Schistosoma mansoni	hypothetical protein	0.0033	0.022	0.0217
Brugia malayi	DIX domain containing protein	0.0019	0.0058	0.014
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0058	0.014
Echinococcus granulosus	tar DNA binding protein	0.0339	0.3674	0.4427
Loa Loa (eye worm)	TAR-binding protein	0.0339	0.3674	0.8871
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1027	0.2482
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0038
Echinococcus granulosus	segment polarity protein dishevelled	0.0019	0.0058	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1027	0.2404
Brugia malayi	hypothetical protein	0.0019	0.0058	0.014
Entamoeba histolytica	hypothetical protein	0.0081	0.0763	0.5
Brugia malayi	MH1 domain containing protein	0.0017	0.0043	0.0103
Trypanosoma cruzi	PAB1-binding protein , putative	0.0021	0.0084	0.5
Brugia malayi	RNA binding protein	0.0339	0.3674	0.8882
Loa Loa (eye worm)	DIX domain-containing protein	0.0019	0.0058	0.0038
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0058	0.0019
Echinococcus multilocularis	GPCR, family 2	0.0033	0.022	0.0178
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0019	0.0058	0.0019
Brugia malayi	hypothetical protein	0.0081	0.0763	0.1845
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0318	0.0336
Brugia malayi	MH2 domain containing protein	0.0017	0.0043	0.0103
Entamoeba histolytica	hypothetical protein	0.0081	0.0763	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0019	0.0058	0.014
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0058	0.0016
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0058	0.0038
Echinococcus granulosus	geminin	0.0744	0.8246	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0081	0.0763	0.0878
Schistosoma mansoni	hypothetical protein	0.0033	0.022	0.0217
Loa Loa (eye worm)	RNA binding protein	0.0339	0.3674	0.8871
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0318	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0653	0.1492
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0084	0.0101
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.022	0.0532
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0019	0.0058	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0038
Trypanosoma cruzi	PAB1-binding protein , putative	0.0021	0.0084	0.5
Echinococcus multilocularis	segment polarity protein dishevelled	0.0019	0.0058	0.0016
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0653	0.158
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.022	0.0217
Schistosoma mansoni	cellular tumor antigen P53	0.0107	0.1051	0.123
Schistosoma mansoni	dep domain containing protein	0.0019	0.0058	0.0019
Brugia malayi	hypothetical protein	0.0019	0.0058	0.014
Schistosoma mansoni	transcription factor LCR-F1	0.0081	0.0763	0.0878
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0058	0.0019
Schistosoma mansoni	tar DNA-binding protein	0.0339	0.3674	0.4427
Schistosoma mansoni	hypothetical protein	0.0744	0.8246	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0318	0.0277
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1027	0.2404
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0019	0.0058	0.014
Loa Loa (eye worm)	hypothetical protein	0.038	0.4136	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0318	0.0336
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.022	0.0434
Trypanosoma brucei	PAB1-binding protein , putative	0.0021	0.0084	0.5
Echinococcus granulosus	GPCR family 2	0.0033	0.022	0.0217

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: CHEMBL579841

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 1080408