TDR Targets

Basic information

Technical information

TDR Targets ID: 606431
Name: N,N'-bis[3-chloro-4-(4,5-dihydro-1H-imidazol- 2-yl)phenyl]benzene-1,4-dicarboxamide
MW: 521.398 | Formula: C26H22Cl2N6O2
H donors: 4 H acceptors: 2 LogP: 2.77 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1ccc(cc1)C(=O)Nc1ccc(c(c1)Cl)C1=NCCN1)Nc1ccc(c(c1)Cl)C1=NCCN1
InChi: 1S/C26H22Cl2N6O2/c27-21-13-17(5-7-19(21)23-29-9-10-30-23)33-25(35)15-1-2-16(4-3-15)26(36)34-18-6-8-20(22(28)14-18)24-31-11-12-32-24/h1-8,13-14H,9-12H2,(H,29,30)(H,31,32)(H,33,35)(H,34,36)
InChiKey: WOHUTKXLKZRWGP-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

N,N'-bis[3-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]terephthalamide

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)	hypothetical protein	0.0031	0.0037	0.0006
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.1854	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0065	0.0034
Echinococcus granulosus	snurportin 1	0.0324	0.1637	0.1611
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.0196	0.0165
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0118	0.0087
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0065	0.0065
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0118	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0065	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0065	0.0033
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0065	0.0065
Toxoplasma gondii	ABC1 family protein	0.0036	0.0065	0.0033
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.006	0.0196	0.0394
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0118	0.0087
Brugia malayi	beta-lactamase family protein	0.0036	0.0065	0.0033
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0054	0.0023
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0065	0.0033
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.0644	0.3384	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0118	0.0087
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.0196	0.0165
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.006	0.0196	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1854	1	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.1854	1	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0065	0.0033
Onchocerca volvulus		0.0249	0.1229	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0219	0.1063	0.1035
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0037	0.0006
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.006	0.0196	0.0165
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0065	0.0033
Trichomonas vaginalis	esterase, putative	0.0036	0.0065	0.0065
Echinococcus multilocularis	survival motor neuron protein 1	0.0249	0.1226	0.1199
Brugia malayi	Pre-SET motif family protein	0.0031	0.0037	0.0006
Echinococcus granulosus	dUTP pyrophosphatase	0.1854	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0054	0.0023
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0065	0.0033
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.1854	1	1
Onchocerca volvulus		0.0051	0.0143	0.0888
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0141	0.011
Brugia malayi	hypothetical protein	0.0249	0.1226	0.1199
Plasmodium vivax	SET domain protein, putative	0.0031	0.0037	0.0006
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.1138	0.3235
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0037	0.0006
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0324	0.1637	0.1611
Entamoeba histolytica	hypothetical protein	0.121	0.6481	0.6481
Schistosoma mansoni	hypothetical protein	0.0034	0.0054	0.0023
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0065	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0037	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0118	0.0087
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0065	0.0033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0118	0.0088
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0065	0.0065
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0037	0.0006
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.0196	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0065	0.0033
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1854	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0065	0.0065
Echinococcus multilocularis	dUTP pyrophosphatase	0.1854	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0065	0.0065
Onchocerca volvulus		0.0036	0.0065	0.023
Schistosoma mansoni	hypothetical protein	0.0324	0.1637	0.1611
Entamoeba histolytica	deoxycytidine triphosphate deaminase, putative	0.0644	0.3384	0.3384
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0143	0.0112
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.0644	0.3384	1
Entamoeba histolytica	hypothetical protein	0.1854	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0065	0.0033
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0037	0.0006
Entamoeba histolytica	hypothetical protein	0.121	0.6481	0.6481
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1854	1	1
Mycobacterium ulcerans	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0644	0.3384	1
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.1854	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0141	0.011
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.1854	1	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0065	0.0033
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.1854	1	1
Onchocerca volvulus		0.0036	0.0065	0.023
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.0196	0.0394
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0065	0.0033
Schistosoma mansoni	hypothetical protein	0.0051	0.0143	0.0112
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0173	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0065	0.0033
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, putative	0.0644	0.3384	0.3384
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0037	0.0006
Brugia malayi	Pre-SET motif family protein	0.0219	0.1063	0.1035
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1854	1	1
Loa Loa (eye worm)	dUTP diphosphatase	0.1854	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0118	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0249	0.1226	0.1199
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0141	0.011
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0065	0.0033
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0065	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0037	0.0006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0118	0.0088
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.1854	1	1
Entamoeba histolytica	hypothetical protein	0.1854	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0065	0.0033
Leishmania major	hypothetical protein, conserved	0.0036	0.0065	0.3307
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1854	1	1
Brugia malayi	RNA, U transporter 1	0.0086	0.0337	0.0307
Echinococcus granulosus	survival motor neuron protein 1	0.0249	0.1226	0.1199
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.1854	1	1
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.1854	1	1
Trichomonas vaginalis	set domain proteins, putative	0.0249	0.1229	0.1229
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0037	0.0006
Onchocerca volvulus		0.0036	0.0065	0.023
Mycobacterium ulcerans	deoxycytidine triphosphate deaminase	0.0644	0.3384	1
Entamoeba histolytica	hypothetical protein	0.0644	0.3384	0.3384
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0143	0.0112
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0141	0.011
Brugia malayi	beta-lactamase	0.0036	0.0065	0.0033
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0065	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0118	0.0087
Echinococcus multilocularis	snurportin 1	0.0324	0.1637	0.1611
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.006	0.0196	0.0165

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 10 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	> 10 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.2341 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.2341 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 0.554 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.554 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL578712
Search by Novartis-GNF Malaria Box

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 606431