TDR Targets

Basic information

Technical information

TDR Targets ID: 1648875
Name: 3-[5-(1H-indol-3-yl)pyrazin-2-yl]-1H-indole
MW: 310.352 | Formula: C20H14N4
H donors: 2 H acceptors: 2 LogP: 3.36 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc2c(c1)c(c[nH]2)c1cnc(cn1)c1c[nH]c2c1cccc2
InChi: 1S/C20H14N4/c1-3-7-17-13(5-1)15(9-21-17)19-11-24-20(12-23-19)16-10-22-18-8-4-2-6-14(16)18/h1-12,21-22H
InChiKey: KENUOBFZYLZIHY-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

3-[5-(1H-indol-3-yl)-2-pyrazinyl]-1H-indole
NCI60_036756
NSC702755

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 hormone receptor-like 1	0.0882	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0882	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0466	0.5072	0.5072
Loa Loa (eye worm)	DR-78	0.0416	0.4481	0.4449
Brugia malayi	tailless protein	0.0416	0.4481	0.4481
Brugia malayi	Nuclear hormone receptor-like 1	0.0466	0.5072	0.5072
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0882	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0074	0.043	0.043
Brugia malayi	conserved hypotetical protein	0.0416	0.4481	0.4481
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0882	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0882	1	1
Brugia malayi	Bromodomain containing protein	0.0079	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0416	0.4481	0.4481
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.015	0.0094
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0047	0.0103	0.0103
Schistosoma mansoni	RAR-like nuclear receptor	0.0882	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0466	0.5072	0.5072
Loa Loa (eye worm)	nuclear hormone receptor	0.0416	0.4481	0.4449
Trichomonas vaginalis	set domain proteins, putative	0.0249	0.25	0.5
Loa Loa (eye worm)	hypothetical protein	0.0146	0.128	0.1231
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0882	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0882	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0416	0.4481	0.4481
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0882	1	1
Brugia malayi	nuclear receptor NHR-88	0.0416	0.4481	0.4481
Brugia malayi	photoreceptor-specific nuclear receptor	0.0882	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0882	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.015	0.015
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0123	0.1011	0.1011
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0882	1	1
Brugia malayi	nuclear receptor NHR-67	0.0416	0.4481	0.4481
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0882	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0416	0.4481	0.4481
Brugia malayi	hypothetical protein	0.0466	0.5072	0.5072
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0548	0.0494
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0882	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0882	1	1
Brugia malayi	nuclear receptor RXR	0.0466	0.5072	0.5072
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Schistosoma mansoni	nuclear receptor	0.0416	0.4481	0.4481
Brugia malayi	hypothetical protein	0.0416	0.4481	0.4481
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0882	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0416	0.4481	0.4481
Brugia malayi	nuclear receptor RXR	0.0416	0.4481	0.4481
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.015	0.015
Echinococcus granulosus	zinc finger protein	0.004	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Brugia malayi	Steroid receptor seven-up type 2	0.0882	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0416	0.4481	0.4481
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0416	0.4481	0.4481
Onchocerca volvulus		0.0416	0.4481	0.2641
Brugia malayi	hypothetical protein	0.0466	0.5072	0.5072
Brugia malayi	Pre-SET motif family protein	0.0219	0.2142	0.2142
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0219	0.2142	0.2097
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0882	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0074	0.043	0.043
Loa Loa (eye worm)	hypothetical protein	0.0079	0.049	0.0436
Schistosoma mansoni	zinc finger protein	0.0416	0.4481	0.4481
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Onchocerca volvulus	Bile acid receptor homolog	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0882	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0882	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0882	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0882	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0882	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0466	0.5072	0.5044
Brugia malayi	Nuclear hormone receptor-like 1	0.0466	0.5072	0.5072
Brugia malayi	nuclear hormone receptor family member odr-7	0.0416	0.4481	0.4481
Brugia malayi	nuclear receptor NHR-88	0.0882	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0882	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0416	0.4481	0.2641
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Echinococcus multilocularis	nuclear receptor nhr 48	0.0416	0.4481	0.4481
Echinococcus granulosus	FTZ F1 alpha	0.0882	1	1
Schistosoma mansoni	nuclear receptor	0.0416	0.4481	0.4481
Echinococcus multilocularis	zinc finger protein	0.004	0.0031	0.0031
Brugia malayi	steroid hormone receptor	0.0882	1	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0056	0.0056
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0882	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.034	0.034
Loa Loa (eye worm)	steroid hormone receptor	0.0882	1	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0047	0.0103	0.0103
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.015	0.0094
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0466	0.5072	0.5072
Loa Loa (eye worm)	hypothetical protein	0.0466	0.5072	0.5044
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0882	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0416	0.4481	0.4481
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0882	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0416	0.4481	0.4481
Brugia malayi	Bromodomain containing protein	0.0155	0.1385	0.1385
Schistosoma mansoni	nuclear hormone receptor	0.0416	0.4481	0.4481
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0416	0.4481	0.4481
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0882	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0416	0.4481	0.4449
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0882	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0882	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0882	1	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0067	0.034	0.034
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0416	0.4481	0.4481
Echinococcus granulosus	ecdysone induced protein 78C	0.0882	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0882	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0882	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0466	0.5072	0.5072
Brugia malayi	PHD-finger family protein	0.0051	0.0161	0.0161
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0123	0.1011	0.1011
Echinococcus multilocularis	FTZ F1 alpha	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0416	0.4481	0.4481
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0047	0.0103	0.0103
Schistosoma mansoni	coup transcription factor	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0594	0.0541
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0882	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0466	0.5072	0.5044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0882	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.034	0.034
Schistosoma mansoni	thyroid hormone receptor	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0466	0.5072	0.5044
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0416	0.4481	0.4481
Echinococcus granulosus	histone lysine methyltransferase setb	0.0067	0.034	0.034
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0416	0.4481	0.4481
Brugia malayi	nuclear hormone receptor	0.0416	0.4481	0.4481
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0882	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0882	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0882	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0416	0.4481	0.4481
Echinococcus granulosus	nuclear receptor nhr 48	0.0416	0.4481	0.4481
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0416	0.4481	0.2641
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Onchocerca volvulus		0.0416	0.4481	0.2641
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0416	0.4481	0.4481
Loa Loa (eye worm)	hypothetical protein	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.034	0.0286
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0416	0.4481	0.4481
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0882	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0416	0.4481	0.4481
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0416	0.4481	0.4449
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Loa Loa (eye worm)	hypothetical protein	0.0466	0.5072	0.5044
Brugia malayi	nuclear hormone receptor	0.0882	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0882	1	1
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4481	0.4449
Schistosoma mansoni	bromodomain containing protein	0.0131	0.1099	0.1099
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0416	0.4481	0.4481
Schistosoma mansoni	zinc finger protein	0.004	0.0031	0.0031
Brugia malayi	hypothetical protein	0.0416	0.4481	0.4481
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Onchocerca volvulus		0.0882	1	1
Brugia malayi	ecdysone receptor	0.0416	0.4481	0.4481
Loa Loa (eye worm)	hypothetical protein	0.0466	0.5072	0.5044
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0882	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0416	0.4481	0.4481

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.719	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.628	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.543	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.503	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.41	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.403	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.3	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.209	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.184	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	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

ChEMBL: CHEMBL2004106

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 1648875