TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.542 | Formula: C26H30N4O2
H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccnn1C1CCN(CC1)Cc1cccc(c1)C(=O)C)CCc1ccccc1
InChi: 1S/C26H30N4O2/c1-20(31)23-9-5-8-22(18-23)19-29-16-13-24(14-17-29)30-25(12-15-27-30)28-26(32)11-10-21-6-3-2-4-7-21/h2-9,12,15,18,24H,10-11,13-14,16-17,19H2,1H3,(H,28,32)
InChiKey: NCNAMVRZHYYHKW-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470

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
Chlamydia trachomatis	DNA topoisomerase I	0.0313	1	0.5
Schistosoma mansoni	RNA binding protein	0.0111	0.2753	0.2718
Schistosoma mansoni	hypothetical protein	0.0313	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0048	0.0048
Trypanosoma brucei	hypothetical protein, conserved	0.0111	0.2753	0.5
Toxoplasma gondii	ran binding protein	0.0111	0.2753	0.2718
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2753	0.2718
Onchocerca volvulus		0.0286	0.904	0.9035
Brugia malayi	Pre-SET motif family protein	0.0251	0.7791	0.778
Leishmania major	hypothetical protein, conserved	0.0111	0.2753	0.5
Echinococcus granulosus	Zinc finger RanBP2 type	0.0111	0.2753	0.2753
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2753	0.2718
Onchocerca volvulus		0.0313	1	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0313	1	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0111	0.2753	0.5
Onchocerca volvulus		0.0111	0.2753	0.2718
Trypanosoma cruzi	WLM domain containing protein, putative	0.0111	0.2753	0.5
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0111	0.2753	0.2718
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0111	0.2753	0.2753
Trypanosoma cruzi	hypothetical protein, conserved	0.0111	0.2753	0.5
Schistosoma mansoni	hypothetical protein	0.0111	0.2753	0.2718
Leishmania major	hypothetical protein, conserved	0.0111	0.2753	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0111	0.2753	0.5
Leishmania major	hypothetical protein, conserved	0.0111	0.2753	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0313	1	1
Brugia malayi	YY1-associated factor 2	0.0111	0.2753	0.2718
Plasmodium vivax	hypothetical protein, conserved	0.0313	1	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0111	0.2753	0.2718
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0111	0.2753	0.5
Schistosoma mansoni	zinc finger protein	0.0111	0.2753	0.2718
Schistosoma mansoni	fusion	0.0111	0.2753	0.2718
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0111	0.2753	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0313	1	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2753	0.2718
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0111	0.2753	0.2718
Chlamydia trachomatis	SWIB complex protein	0.0313	1	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0111	0.2753	0.5
Echinococcus granulosus	ring and YY1 binding protein	0.0111	0.2753	0.2753
Schistosoma mansoni	hypothetical protein	0.0313	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0313	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0111	0.2753	0.5
Schistosoma mansoni	brg-1 associated factor	0.0313	1	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0111	0.2753	0.2753
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0313	1	1
Leishmania major	hypothetical protein, conserved	0.0111	0.2753	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0111	0.2753	0.2718
Echinococcus multilocularis	ring and YY1 binding protein	0.0111	0.2753	0.2718
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0111	0.2753	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0313	1	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0313	1	1
Brugia malayi	brahma associated protein 60 kDa	0.0313	1	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0313	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0111	0.2753	0.2718
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0111	0.2753	0.5
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0111	0.2753	0.2718
Trypanosoma cruzi	WLM domain containing protein, putative	0.0111	0.2753	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0111	0.2753	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.7791	0.778
Echinococcus granulosus	SWI:SNF matrix associated	0.0313	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0111	0.2753	0.2718
Schistosoma mansoni	TRABID protein (C64 family)	0.0111	0.2753	0.2718
Loa Loa (eye worm)	brahma associated protein	0.0313	1	1
Schistosoma mansoni	hypothetical protein	0.0313	1	1
Onchocerca volvulus		0.0111	0.2753	0.2718
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0111	0.2753	0.2718
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0313	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0313	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0313	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0111	0.2753	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2753	0.2718
Onchocerca volvulus		0.0111	0.2753	0.2718
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0313	1	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0111	0.2753	0.2718
Leishmania major	hypothetical protein, conserved	0.0111	0.2753	0.5
Onchocerca volvulus		0.0111	0.2753	0.2718
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2753	0.2718
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0313	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1725064

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 1528910