TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 609.013 | Formula: C14H17Cl6N6O6P
H donors: 2 H acceptors: 3 LogP: 3.45 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: ClC(COP(=O)(OCC(Cl)(Cl)Cl)NCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)(Cl)Cl
InChi: 1S/C14H17Cl6N6O6P/c1-7-4-26(12(28)23-11(7)27)10-2-8(24-25-21)9(32-10)3-22-33(29,30-5-13(15,16)17)31-6-14(18,19)20/h4,8-10H,2-3,5-6H2,1H3,(H,22,29)(H,23,27,28)
InChiKey: LTLCSGADLLUAGH-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	jumonji domain containing protein	0.0321	0.1907	0.1996
Schistosoma mansoni	zinc finger protein	0.0098	0.0393	0.0412
Schistosoma mansoni	hypothetical protein	0.0067	0.0186	0.0195
Brugia malayi	jmjC domain containing protein	0.0162	0.0825	0.0943
Echinococcus granulosus	fetal alzheimer antigen falz	0.0144	0.0707	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0086	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0172	0.0196
Loa Loa (eye worm)	bromodomain containing protein	0.0113	0.0496	0.0567
Brugia malayi	PHD-finger family protein	0.0123	0.0566	0.0647
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.03	0.1764	0.1847
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1579	0.1804
Brugia malayi	Bromodomain containing protein	0.048	0.2982	0.3406
Echinococcus granulosus	chromobox protein 1	0.0148	0.0736	0.077
Brugia malayi	PHD-finger family protein	0.0159	0.081	0.0925
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.0538	0.0614
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0052	0.0083	0.0087
Echinococcus multilocularis	microtubule associated protein 2	0.1449	0.9551	1
Echinococcus multilocularis	chromobox protein 1	0.0148	0.0736	0.077
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0382	0.2318	0.2427
Schistosoma mansoni	hypothetical protein	0.0067	0.0186	0.0195
Schistosoma mansoni	hypothetical protein	0.004	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0261	0.1496	0.1709
Plasmodium falciparum	phd finger protein, putative	0.0123	0.0566	1
Leishmania major	cathepsin L-like protease	0.0068	0.019	0.4837
Brugia malayi	chromobox protein homolog 3	0.0083	0.0294	0.0336
Echinococcus multilocularis	zinc finger protein	0.0125	0.0579	0.0606
Schistosoma mansoni	bromodomain containing protein	0.0405	0.2474	0.259
Brugia malayi	Pre-SET motif family protein	0.0191	0.1024	0.117
Trichomonas vaginalis	chromobox protein, putative	0.0148	0.0736	0.0614
Loa Loa (eye worm)	PHD-finger family protein	0.0132	0.0625	0.0714
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.023	0.1288	0.1348
Brugia malayi	Bromodomain containing protein	0.0245	0.1391	0.1589
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0162	0.0825	0.0864
Leishmania major	cathepsin L-like protease	0.0068	0.019	0.4837
Toxoplasma gondii	PHD-finger domain-containing protein	0.004	0.0003	0.0033
Schistosoma mansoni	chromobox protein	0.0148	0.0736	0.077
Echinococcus multilocularis	lysine specific demethylase 5A	0.0149	0.0742	0.0777
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0109	0.0469	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0452	0.2796	0.3194
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Brugia malayi	AF-10 protein	0.004	0.0003	0.0004
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0003	0.0033
Onchocerca volvulus		0.0215	0.1189	0.1035
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0062	0.015	0.3821
Trypanosoma cruzi	ISWI complex protein	0.0098	0.0393	1
Echinococcus granulosus	jumonji domain containing protein	0.0172	0.0894	0.0936
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0144	0.0707	0.0741
Trypanosoma brucei	ISWI complex protein	0.0098	0.0393	1
Loa Loa (eye worm)	PHD-finger family protein	0.0123	0.0566	0.0647
Onchocerca volvulus	Alhambra homolog	0.0123	0.0566	0.0401
Echinococcus granulosus	lysine specific demethylase 5A	0.0162	0.0825	0.0864
Echinococcus granulosus	peregrin	0.0139	0.0669	0.0701
Brugia malayi	jmjC domain containing protein	0.0404	0.247	0.2821
Loa Loa (eye worm)	jmjC domain-containing protein	0.0162	0.0825	0.0943
Schistosoma mansoni	microtubule-associated protein tau	0.1449	0.9551	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.0538	0.0614
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0109	0.0469	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1164	0.133
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0191	0.1024	0.1072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0067	0.0186	0.0213
Toxoplasma gondii	PHD-finger domain-containing protein	0.0123	0.0566	0.5531
Echinococcus granulosus	chromobox protein 1	0.0148	0.0736	0.077
Loa Loa (eye worm)	heterochromatin protein 1	0.0148	0.0736	0.084
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.004	0.0003	0.0033
Trichomonas vaginalis	chromobox protein, putative	0.0089	0.0337	0.021
Schistosoma mansoni	hypothetical protein	0.0123	0.0566	0.0593
Schistosoma mansoni	hypothetical protein	0.0067	0.0186	0.0195
Brugia malayi	F/Y-rich N-terminus family protein	0.006	0.0134	0.0153
Giardia lamblia	PHD finger protein 15	0.0123	0.0566	0.5
Leishmania major	hypothetical protein, conserved	0.0098	0.0393	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Trichomonas vaginalis	chromobox protein, putative	0.0089	0.0337	0.021
Schistosoma mansoni	hypothetical protein	0.0145	0.0716	0.0749
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0123	0.0566	0.0593
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	0.019	0.4837
Trypanosoma cruzi	ISWI complex protein	0.0098	0.0393	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0109	0.0469	0.0491
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0213	0.1172	0.1339
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0052	0.0083	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0294	0.0167
Echinococcus granulosus	PHD finger protein rhinoceros	0.0123	0.0566	0.0593
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.1286	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0404	0.247	0.2586
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.004	0.0003	0.0087
Loa Loa (eye worm)	jmjC domain-containing protein	0.0255	0.1457	0.1665
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1394	0.1592
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.1331	0.8753	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0123	0.0566	0.0593
Schistosoma mansoni	zinc finger protein	0.0125	0.0579	0.0606
Brugia malayi	Latrophilin receptor protein 2	0.0067	0.0186	0.0213
Schistosoma mansoni	chromobox protein	0.0148	0.0736	0.077
Trichomonas vaginalis	chromobox protein, putative	0.0148	0.0736	0.0614
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0047	0.0051	0.0053
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0382	0.2318	0.2427
Echinococcus granulosus	histone lysine methyltransferase setb	0.03	0.1764	0.1847
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0184	0.0977	0.1023
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.004	0.0003	0.0087
Brugia malayi	Bromodomain containing protein	0.0139	0.0669	0.0764
Echinococcus multilocularis	peregrin	0.0139	0.0669	0.0701
Echinococcus granulosus	microtubule associated protein 2	0.1449	0.9551	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0067	0.0186	0.0195
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0089	0.0337	0.0167
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0109	0.0469	0.0491
Brugia malayi	Heterochromatin protein 1	0.0148	0.0736	0.084
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0566	0.0647
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0191	0.1024	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.03	0.1764	0.1847
Brugia malayi	Pre-SET motif family protein	0.1331	0.8753	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Echinococcus multilocularis	jumonji domain containing protein	0.0172	0.0894	0.0936
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0213	0.1172	0.1339
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0404	0.247	0.2586
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0083	0.0294	0.0124
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0215	0.1189	0.1245
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0067	0.0186	0.0213
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.0092	0.2332
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0067	0.0186	0.0195
Echinococcus multilocularis	chromobox protein 1	0.0148	0.0736	0.077
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Brugia malayi	latrophilin 2 splice variant baaae	0.0145	0.0716	0.0818
Toxoplasma gondii	PHD-finger domain-containing protein	0.0123	0.0566	0.5531
Plasmodium vivax	hypothetical protein, conserved	0.0123	0.0566	0.5531
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Brugia malayi	PHD-finger family protein	0.0053	0.0086	0.0099
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.019	0.4837
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0144	0.0707	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0716	0.0818
Echinococcus granulosus	zinc finger protein	0.0125	0.0579	0.0606
Echinococcus multilocularis	GPCR, family 2	0.0067	0.0186	0.0195
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0067	0.0186	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0186	0.0213
Schistosoma mansoni	hypothetical protein	0.0098	0.0393	0.0412
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.023	0.1288	0.1348
Schistosoma mansoni	hypothetical protein	0.0132	0.0625	0.0654
Brugia malayi	MH2 domain containing protein	0.0119	0.0538	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1172	0.1339
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.019	0.4837
Schistosoma mansoni	hypothetical protein	0.0067	0.0186	0.0195
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.019	0.4837
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0162	0.0825	0.0864
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0294	0.0167
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0067	0.0186	0.0195
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.03	0.1764	0.1847
Plasmodium vivax	SET domain protein, putative	0.0191	0.1024	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Trichomonas vaginalis	set domain proteins, putative	0.1515	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.019	0.4837
Loa Loa (eye worm)	hypothetical protein	0.03	0.1764	0.2015
Leishmania major	cathepsin L-like protease	0.0068	0.019	0.4837
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0294	0.0336
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.004	0.0003	0.006
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0213	0.1172	0.1339
Echinococcus granulosus	GPCR family 2	0.0067	0.0186	0.0195
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0191	0.1024	0.1072

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 100 uM	Concentration whichreduces the viability of uninfected C8166 cells by 50%	ChEMBL.	No reference
CC50 (functional)	= 100 uM	Concentration whichreduces the viability of uninfected C8166 cells by 50%	ChEMBL.	No reference
EC50 (functional)	= 30 uM	Compound was evaluated for inhibitory activity against HIV-1 infected C8166 cells.	ChEMBL.	No reference
EC50 (functional)	= 30 uM	Compound was evaluated for inhibitory activity against HIV-1 infected C8166 cells.	ChEMBL.	No reference
Selectivity (functional)	= 3.3	Ratio of EC50 to CC50 against HIV-1/C8166 cells was evaluated	ChEMBL.	No reference

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

No external resources registered for this compound

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 131635