TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.187 | Formula: C18H18Cl4N6O
H donors: 4 H acceptors: 0 LogP: 4.55 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)Nc1ccc(c(c1)Cl)c1ccc(o1)c1ccc(cc1Cl)NC(=N)N.Cl.Cl
InChi: 1S/C18H16Cl2N6O.2ClH/c19-13-7-9(25-17(21)22)1-3-11(13)15-5-6-16(27-15)12-4-2-10(8-14(12)20)26-18(23)24;;/h1-8H,(H4,21,22,25)(H4,23,24,26);2*1H
InChiKey: VUWBCGMLQXSRAR-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
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.2032	0.222
Treponema pallidum	pfs protein (pfs)	0.0084	0.0862	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Brugia malayi	Trypsin-like protease protein 5	0.0076	0.0633	0.0203
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Schistosoma mansoni	hypothetical protein	0.0076	0.0633	0.0203
Schistosoma mansoni	peptidase Clp (S14 family)	0.0082	0.0801	0.0379
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0407	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.2953	0.2629
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0076	0.0633	0.0203
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0082	0.0801	0.0801
Echinococcus multilocularis	transmembrane protease serine 3	0.0076	0.0633	0.0633
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.1349	0.0951
Schistosoma mansoni	uridine phosphorylase	0.0084	0.0862	0.0442
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.1349	0.1267
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.015	0.2718	1
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0084	0.0862	0.0244
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0106	0.1489	0.1489
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0801	0.018
Echinococcus multilocularis	uridine phosphorylase 1	0.0084	0.0862	0.0862
Echinococcus granulosus	uridine phosphorylase 1	0.0084	0.0862	0.0862
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Echinococcus granulosus	enteropeptidase	0.0076	0.0633	0.0633
Toxoplasma gondii	phosphorylase family protein	0.0084	0.0862	0.0314
Brugia malayi	MTAP	0.0084	0.0862	0.0442
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Echinococcus granulosus	thymidylate synthase	0.0106	0.1489	0.1489
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0082	0.0801	0.0801
Schistosoma mansoni	uridine phosphorylase	0.0084	0.0862	0.0442
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0084	0.0862	0.5
Schistosoma mansoni	purine nucleoside phosphorylase	0.0407	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0084	0.0862	0.5
Schistosoma mansoni	hypothetical protein	0.0136	0.2333	0.1981
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Brugia malayi	Nuclear hormone receptor-like 1	0.0269	0.6109	0.5931
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.015	0.2718	1
Schistosoma mansoni	hypothetical protein	0.0076	0.0633	0.0203
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Brugia malayi	Trypsin family protein	0.0076	0.0633	0.0203
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.015	0.2718	1
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0084	0.0862	1
Brugia malayi	Nuclear hormone receptor-like 1	0.028	0.6402	0.6236
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0076	0.0633	0.0633
Mycobacterium tuberculosis	Hypothetical protein	0.0084	0.0862	0.0862
Brugia malayi	Trypsin family protein	0.0076	0.0633	0.0203
Brugia malayi	Trypsin family protein	0.0076	0.0633	0.0203
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0084	0.0862	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0158	0.2953	0.2953
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0084	0.0862	0.0862
Loa Loa (eye worm)	thymidylate synthase	0.0106	0.1489	0.1463
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0076	0.0633	0.0203
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0084	0.0862	0.0442
Brugia malayi	Nuclear hormone receptor-like 1	0.0269	0.6109	0.5931
Echinococcus granulosus	transmembrane protease serine 3	0.0076	0.0633	0.0633
Echinococcus multilocularis	glycoprotein Antigen 5	0.0076	0.0633	0.0633
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0084	0.0862	0.0442
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0323	0.7614	1
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0084	0.0862	0.0862
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0407	1	1
Entamoeba histolytica	hypothetical protein	0.0084	0.0862	0.5
Brugia malayi	thymidylate synthase	0.0106	0.1489	0.1098
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0084	0.0862	0.0314
Echinococcus multilocularis	enteropeptidase	0.0076	0.0633	0.0633
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0633
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0407	1	1
Giardia lamblia	Deoxynucleoside kinase	0.0383	0.9319	0.9254
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0323	0.7614	0.7614
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Brugia malayi	Probable ClpP-like protease	0.0082	0.0801	0.0379
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Brugia malayi	MH2 domain containing protein	0.0126	0.2032	0.1666
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0407	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0106	0.1489	0.1489
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.015	0.2718	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0084	0.0862	0.0314
Treponema pallidum	uridine phosphorylase (udp)	0.0084	0.0862	1
Echinococcus multilocularis	Mastin	0.0076	0.0633	0.0633
Mycobacterium leprae	probable uridine phosphorylase	0.0084	0.0862	0.0862
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0323	0.7614	0.7614
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0084	0.0862	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Brugia malayi	uridine phosphorylase family protein	0.0084	0.0862	0.0442
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0407	1	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0407	1	1
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0084	0.0862	0.5
Chlamydia trachomatis	AMP nucleosidase	0.0084	0.0862	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.015	0.2718	1
Brugia malayi	hypothetical protein	0.0076	0.0633	0.0203
Schistosoma mansoni	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0076	0.0633	0.0633
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0082	0.0801	0.0801
Onchocerca volvulus		0.0106	0.1489	0.0914
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0084	0.0862	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0084	0.0862	0.5
Mycobacterium ulcerans	thymidylate synthase	0.0106	0.1489	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Echinococcus granulosus	Mastin	0.0076	0.0633	0.0633
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0407	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.2953	0.2629
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0633	0.027
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0084	0.0862	0.0589
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0801	0.5
Echinococcus multilocularis	thymidylate synthase	0.0106	0.1489	0.1489
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0407	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1349	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0268	0.6074	0.7855
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0076	0.0633	0.0633
Loa Loa (eye worm)	trypsin family protein	0.0076	0.0633	0.027
Echinococcus granulosus	glycoprotein Antigen 5	0.0076	0.0633	0.0633
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.2032	0.222
Plasmodium falciparum	purine nucleoside phosphorylase	0.0084	0.0862	0.0314
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0106	0.1489	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0801	0.0505
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0136	0.2333	0.2333
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0407	1	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.015	0.2718	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0084	0.0862	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0323	0.7614	0.7614
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0269	0.6109	0.7903
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0084	0.0862	0.0862
Brugia malayi	Trypsin family protein	0.0076	0.0633	0.0203
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0076	0.0633	0.0203
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.1349	0.0951
Echinococcus granulosus	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0407	1	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0136	0.2333	0.2333
Toxoplasma gondii	phosphorylase family protein	0.0084	0.0862	0.0314
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0084	0.0862	0.0862
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0801	0.018
Loa Loa (eye worm)	uridine phosphorylase	0.0084	0.0862	0.0589
Schistosoma mansoni	cercarial elastase (S01 family)	0.0076	0.0633	0.0203

Activities

Activity type	Activity value	Assay description	Source	Reference
MFC (functional)	= 100 ug ml-1	In vitro minimum fungicidal concentration against C. albicans.	ChEMBL.	11356109
MIC (functional)	= 4 ug ml-1	In vitro minimum inhibitory concentration required to inhibit Mycobacterium tuberculosis	ChEMBL.	11356109
MIC (functional)	= 10 ug ml-1	In vitro minimum inhibitory concentration against C. albicans.	ChEMBL.	11356109

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: CHEMBL1788168

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 1523415