TDR Targets

Basic information

Technical information

TDR Targets ID: 1557751
Name: IDI1_013260
MW: 351.326 | Formula: C16H16F3N5O
H donors: 0 H acceptors: 4 LogP: 1.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ncc(nc1)C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
InChi: 1S/C16H16F3N5O/c1-11-8-21-13(10-20-11)15(25)24-6-4-23(5-7-24)14-3-2-12(9-22-14)16(17,18)19/h2-3,8-10H,4-7H2,1H3
InChiKey: GRUZCKVWRNBTFO-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

Maybridge3_001873
(5-methyl-2-pyrazinyl){4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
MLS000830768
SMR000458189

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Entamoeba histolytica	protein kinase, putative	0.001	0.0326	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0012	0.049	0.0319
Echinococcus granulosus	tyrosine kinase	0.0011	0.0409	0.0237
Loa Loa (eye worm)	SRC-1	0.0012	0.049	0.0319
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0057	0.3612	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0012	0.049	0.0319
Echinococcus granulosus	tyrosine protein kinase HCK	0.001	0.0326	0.0152
Loa Loa (eye worm)	leucine Rich Repeat family protein	0.0019	0.101	0.0849
Echinococcus granulosus	tar DNA binding protein	0.0076	0.5003	0.4913
Echinococcus multilocularis	palmitoyl protein thioesterase 1	0.005	0.3163	0.3041
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0148	1	0.5
Schistosoma mansoni	palmitoyl-protein thioesterase	0.0015	0.0707	0.054
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0057	0.3612	0.5
Onchocerca volvulus		0.0007	0.0176	0.1035
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.5003	0.4913
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5003	0.4913
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0012	0.049	0.0319
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0012	0.049	0.0319
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.001	0.0385	0.0213
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0012	0.049	0.0319
Onchocerca volvulus		0.0007	0.0176	0.1035
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.5003	0.4913
Brugia malayi	TAR-binding protein	0.0076	0.5003	0.4913
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0057	0.3612	0.5
Schistosoma mansoni	palmitoyl-protein thioesterase	0.0015	0.0707	0.054
Loa Loa (eye worm)	dihydrofolate reductase	0.0148	1	1
Echinococcus granulosus	dihydrofolate reductase	0.0148	1	1
Onchocerca volvulus		0.0007	0.0176	0.1035
Schistosoma mansoni	tyrosine kinase	0.0012	0.049	0.0319
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0029	0.1703	0.1554
Schistosoma mansoni	dihydrofolate reductase	0.0148	1	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0057	0.3612	0.5
Schistosoma mansoni	palmitoyl-protein thioesterase	0.005	0.3163	0.3041
Echinococcus granulosus	tyrosine protein kinase Blk	0.0011	0.0409	0.0237
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.5003	0.4913
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0148	1	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0012	0.049	0.0319
Onchocerca volvulus		0.0007	0.0176	0.1035
Onchocerca volvulus		0.0007	0.0176	0.1035
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0007	0.0176	0.1035
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0012	0.049	0.0319
Onchocerca volvulus		0.0007	0.0176	0.1035
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0012	0.049	0.0319
Onchocerca volvulus		0.0007	0.0176	0.1035
Echinococcus granulosus	tyrosine protein kinase Src42A	0.001	0.0385	0.0213
Schistosoma mansoni	tyrosine kinase	0.0012	0.049	0.0319
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0007	0.0176	0.1035
Brugia malayi	RNA binding protein	0.0076	0.5003	0.4913
Onchocerca volvulus		0.0007	0.0176	0.1035
Onchocerca volvulus		0.0007	0.0176	0.1035
Brugia malayi	protein-tyrosine kinase	0.0011	0.0409	0.0237
Onchocerca volvulus		0.0007	0.0176	0.1035
Onchocerca volvulus		0.0029	0.1703	1
Onchocerca volvulus		0.0007	0.0176	0.1035
Onchocerca volvulus		0.0007	0.0176	0.1035
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0011	0.0409	0.0237
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0012	0.049	0.0319
Echinococcus multilocularis	tyrosine protein kinase HCK	0.001	0.0326	0.0152
Onchocerca volvulus		0.0007	0.0176	0.1035
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0012	0.049	0.0319
Loa Loa (eye worm)	palmitoyl-protein thioesterase 1	0.005	0.3163	0.3041
Loa Loa (eye worm)	TK protein kinase	0.001	0.0326	0.0152
Brugia malayi	SRC-1	0.0012	0.049	0.0319
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0011	0.0409	0.0237
Loa Loa (eye worm)	TK protein kinase	0.0011	0.0409	0.0237
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0012	0.049	0.0319
Onchocerca volvulus		0.0007	0.0176	0.1035
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0148	1	0.5
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0057	0.3612	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.5003	0.4913
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0012	0.049	0.0319
Echinococcus multilocularis	dihydrofolate reductase	0.0148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1703	0.1554
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5003	0.4913
Echinococcus granulosus	palmitoyl protein thioesterase 1	0.005	0.3163	0.3041
Brugia malayi	Dihydrofolate reductase	0.0148	1	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0011	0.0409	0.0237
Echinococcus multilocularis	allatostatin A receptor	0.0029	0.1703	0.1554
Chlamydia trachomatis	dihydrofolate reductase	0.0148	1	0.5
Loa Loa (eye worm)	RNA binding protein	0.0076	0.5003	0.4913
Onchocerca volvulus		0.0007	0.0176	0.1035
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0057	0.3612	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5003	0.4913
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0012	0.049	0.0319
Onchocerca volvulus		0.0007	0.0176	0.1035
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5003	0.4913
Brugia malayi	Palmitoyl-protein thioesterase 1 precursor	0.005	0.3163	0.3041
Echinococcus granulosus	allatostatin A receptor	0.0029	0.1703	0.1554
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0012	0.049	0.0319
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0012	0.049	0.0319
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0012	0.049	0.0319
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.5003	0.4913
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0012	0.049	0.0319
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0011	0.0409	0.0237

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.0999 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	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: CHEMBL1730894

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 1557751