TDR Targets

Basic information

Technical information

TDR Targets ID: 1345853
Name: 3-[3,6-di(phenyl)-1,2,4-triazin-5-yl]-1H-indo le
MW: 348.4 | Formula: C23H16N4
H donors: 1 H acceptors: 3 LogP: 4.31 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)c1nnc(c(n1)c1c[nH]c2c1cccc2)c1ccccc1
InChi: 1S/C23H16N4/c1-3-9-16(10-4-1)21-22(19-15-24-20-14-8-7-13-18(19)20)25-23(27-26-21)17-11-5-2-6-12-17/h1-15,24H
InChiKey: OVQQAENDNFDMFR-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

SMR000146583
3-(3,6-Diphenyl-[1,2,4]triazin-5-yl)-1H-indole
STOCK2S-48644
MLS000554266
ZINC00510330

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055

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	Ligand-binding domain of nuclear hormone receptor family protein	0.0464	0.4442	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0464	0.4442	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0219	0.0748	0.035
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0464	0.4442	0.4202
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	ecdysone receptor	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1143	0.1814
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0245	0.1143	0.1814
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	nuclear hormone receptor	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	hypothetical protein	0.0245	0.1143	0.1814
Brugia malayi	Nuclear hormone receptor E75	0.0219	0.0748	0.0832
Brugia malayi	Nuclear hormone receptor-like 1	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1143	0.1814
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0464	0.4442	0.4202
Brugia malayi	ecdysteroid receptor	0.0464	0.4442	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0464	0.4442	0.4442
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0219	0.0748	0.035
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0219	0.0748	0.0748
Echinococcus multilocularis	FTZ F1 alpha	0.0464	0.4442	0.4202
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0464	0.4442	1
Brugia malayi	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0464	0.4442	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0219	0.0748	0.0832
Loa Loa (eye worm)	steroid hormone receptor	0.0464	0.4442	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0219	0.0748	0.035
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0464	0.4442	0.4202
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0464	0.4442	0.4202
Schistosoma mansoni	nuclear receptor	0.0219	0.0748	0.0748
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0464	0.4442	0.4202
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1143	0.1814
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0464	0.4442	0.4202
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0245	0.1143	0.0762
Brugia malayi	nuclear hormone receptor	0.0219	0.0748	0.0832
Brugia malayi	hypothetical protein	0.0245	0.1143	0.1814
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0219	0.0748	0.035
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0219	0.0748	0.035
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0219	0.0748	0.035
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0464	0.4442	0.4202
Brugia malayi	nuclear receptor RXR	0.0245	0.1143	0.1814
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0464	0.4442	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0245	0.1143	0.1143
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0219	0.0748	0.0748
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0219	0.0748	0.035
Schistosoma mansoni	zinc finger protein	0.0219	0.0748	0.0748
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0219	0.0748	0.0832
Onchocerca volvulus		0.0464	0.4442	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0219	0.0748	0.0832
Brugia malayi	Nuclear hormone receptor-like 1	0.0245	0.1143	0.1814
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0464	0.4442	0.4202
Schistosoma mansoni	nuclear hormone receptor	0.0219	0.0748	0.0748
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0464	0.4442	0.4202
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	photoreceptor-specific nuclear receptor	0.0464	0.4442	1
Brugia malayi	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Schistosoma mansoni	thyroid hormone receptor	0.0464	0.4442	0.4442
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0464	0.4442	1
Schistosoma mansoni	nuclear receptor	0.0219	0.0748	0.0748
Echinococcus multilocularis	ecdysone induced protein 78C	0.0464	0.4442	0.4202
Brugia malayi	Nuclear hormone receptor-like 1	0.0245	0.1143	0.1814
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0464	0.4442	0.4442
Brugia malayi	nuclear receptor NHR-88	0.0464	0.4442	1
Brugia malayi	Nuclear hormone receptor E75	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1143	0.1814
Brugia malayi	nuclear receptor NHR-88	0.0219	0.0748	0.0832
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0245	0.1143	0.1143
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0219	0.0748	0.035
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0219	0.0748	0.0832
Schistosoma mansoni	coup transcription factor	0.0464	0.4442	0.4442
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0245	0.1143	0.0762
Schistosoma mansoni	retinoic acid receptor RXR	0.0464	0.4442	0.4442
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0464	0.4442	0.4202
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0464	0.4442	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0464	0.4442	0.4202
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0464	0.4442	0.4442
Brugia malayi	orphan nuclear receptor NR2E1	0.0219	0.0748	0.0832
Brugia malayi	Steroid receptor seven-up type 2	0.0464	0.4442	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0464	0.4442	0.4442
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0464	0.4442	0.4442
Brugia malayi	nuclear receptor RXR	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0464	0.4442	0.4442
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0219	0.0748	0.035
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0748	0.0832
Brugia malayi	conserved hypotetical protein	0.0219	0.0748	0.0832
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0464	0.4442	0.4442
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0464	0.4442	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0219	0.0748	0.035
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0464	0.4442	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0464	0.4442	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0464	0.4442	1
Loa Loa (eye worm)	DR-78	0.0219	0.0748	0.0832
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0464	0.4442	0.4442
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0464	0.4442	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0219	0.0748	0.035
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0464	0.4442	0.4202
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0219	0.0748	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1143	0.1814
Brugia malayi	nuclear hormone receptor family member odr-7	0.0219	0.0748	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0464	0.4442	1
Schistosoma mansoni	nuclear hormone receptor	0.0219	0.0748	0.0748
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0464	0.4442	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0464	0.4442	0.4202
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0464	0.4442	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0219	0.0748	0.0748
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0464	0.4442	1
Schistosoma mansoni	thyroid hormone receptor	0.0464	0.4442	0.4442
Echinococcus granulosus	FTZ F1 alpha	0.0464	0.4442	0.4202
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Loa Loa (eye worm)	hypothetical protein	0.0464	0.4442	1
Schistosoma mansoni	nuclear hormone receptor	0.0464	0.4442	0.4442
Brugia malayi	steroid hormone receptor	0.0464	0.4442	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0464	0.4442	0.4202
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0464	0.4442	0.4202
Onchocerca volvulus	Bile acid receptor homolog	0.0464	0.4442	1
Brugia malayi	nuclear receptor NHR-67	0.0219	0.0748	0.0832
Brugia malayi	tailless protein	0.0219	0.0748	0.0832
Echinococcus granulosus	thyroid hormone receptor alpha	0.0219	0.0748	0.035

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1444775

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 1345853