TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 233.308 | Formula: C17H15N
H donors: 1 H acceptors: 0 LogP: 3.26 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C=CC12NC(c3c2cccc3)Cc2c1cccc2
InChi: 1S/C17H15N/c1-2-17-14-9-5-3-7-12(14)11-16(18-17)13-8-4-6-10-15(13)17/h2-10,16,18H,1,11H2
InChiKey: SNKVNNXKZIUUHR-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
Rattus norvegicus	Glutamate NMDA receptor	Starlite/ChEMBL	References

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	tailless protein	0.0209	0.4428	0.4415
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0209	0.4428	0.4415
Onchocerca volvulus		0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0442	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0442	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0209	0.4428	0.4415
Schistosoma mansoni	RAR-like nuclear receptor	0.0442	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0442	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0442	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0234	0.5024	0.4916
Brugia malayi	hypothetical protein	0.0213	0.4519	0.4506
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0442	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0209	0.4428	0.4415
Brugia malayi	hypothetical protein	0.0234	0.5024	0.5013
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.5024	0.5013
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0209	0.4428	0.4306
Loa Loa (eye worm)	hypothetical protein	0.0234	0.5024	0.5013
Loa Loa (eye worm)	DR-78	0.0209	0.4428	0.4415
Schistosoma mansoni	hypothetical protein	0.0119	0.2293	0.2275
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0265
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0209	0.4428	0.4415
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0442	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0234	0.5024	0.5013
Brugia malayi	nuclear receptor NHR-67	0.0209	0.4428	0.4415
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0209	0.4428	0.4306
Schistosoma mansoni	thyroid hormone receptor	0.0442	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0442	1	1
Brugia malayi	nuclear receptor NHR-88	0.0442	1	1
Schistosoma mansoni	nuclear receptor	0.0209	0.4428	0.4415
Brugia malayi	MH2 domain containing protein	0.0084	0.1453	0.1434
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0035	0.0288	0.0265
Brugia malayi	hypothetical protein	0.0209	0.4428	0.4415
Schistosoma mansoni	zinc finger protein	0.0209	0.4428	0.4415
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0442	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0442	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0234	0.5024	0.4916
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0442	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0442	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0035	0.0288	0.0265
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0209	0.4428	0.4306
Brugia malayi	Nuclear hormone receptor-like 1	0.0442	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0442	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0442	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0442	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0209	0.4428	0.4306
Echinococcus granulosus	geminin	0.0119	0.2293	0.2124
Loa Loa (eye worm)	transcription factor SMAD2	0.0084	0.1453	0.1434
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0442	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0442	1	1
Brugia malayi	conserved hypotetical protein	0.0209	0.4428	0.4415
Echinococcus multilocularis	nuclear receptor nhr 48	0.0209	0.4428	0.4306
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0442	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0442	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0209	0.4428	0.4415
Brugia malayi	nuclear receptor RXR	0.0234	0.5024	0.5013
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0023	0	0.5
Schistosoma mansoni	coup transcription factor	0.0442	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0442	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0209	0.4428	0.4415
Brugia malayi	ecdysone receptor	0.0209	0.4428	0.4415
Loa Loa (eye worm)	MH2 domain-containing protein	0.0084	0.1453	0.1434
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0035	0.0288	0.0265
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0234	0.5024	0.5013
Schistosoma mansoni	nuclear hormone receptor	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0209	0.4428	0.4306
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0209	0.4428	0.4306
Brugia malayi	Nuclear hormone receptor-like 1	0.0234	0.5024	0.5013
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0442	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0442	1	1
Brugia malayi	nuclear receptor NHR-88	0.0209	0.4428	0.4415
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0442	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0209	0.4428	0.4306
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.5024	0.5013
Echinococcus multilocularis	ecdysone induced protein 78C	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0442	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0209	0.4428	0.4415
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0209	0.4428	0.4415
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.4519	0.4506
Brugia malayi	steroid hormone receptor	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Brugia malayi	nuclear receptor RXR	0.0209	0.4428	0.4415
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0209	0.4428	0.4306
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0442	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0442	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0442	1	1
Brugia malayi	nuclear hormone receptor	0.0209	0.4428	0.4415
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0023	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0442	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0209	0.4428	0.4415
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0209	0.4428	0.4306
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0209	0.4428	0.4306
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0442	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0442	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0234	0.5024	0.5013
Brugia malayi	Nuclear hormone receptor E75	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0209	0.4428	0.4415
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0442	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0442	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0442	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.5024	0.5013
Schistosoma mansoni	nuclear hormone receptor	0.0209	0.4428	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0234	0.5024	0.5013
Onchocerca volvulus		0.0213	0.4519	0.0163
Echinococcus multilocularis	geminin	0.0119	0.2293	0.2124
Brugia malayi	hypothetical protein	0.0234	0.5024	0.5013
Brugia malayi	nuclear hormone receptor	0.0442	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0442	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0442	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0442	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0442	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0442	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0442	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0442	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0209	0.4428	0.4415
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0442	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0234	0.5024	0.5013
Schistosoma mansoni	nuclear receptor	0.0209	0.4428	0.4415
Echinococcus granulosus	thyroid hormone receptor alpha	0.0209	0.4428	0.4306
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0442	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0442	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0442	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0442	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0442	1	1
Chlamydia trachomatis	glutamine binding protein	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4428	0.4415
Brugia malayi	hypothetical protein	0.0209	0.4428	0.4415
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0023	0	0.5
Schistosoma mansoni	hypothetical protein	0.0119	0.2293	0.2275

Activities

Activity type	Activity value	Assay description	Source	Reference
Kb (functional)	= 0.32 uM	Antagonistic activity against N-methyl-D-aspartate glutamate receptor from rat cortical slice	ChEMBL.	1688947
Kb (functional)	= 0.32 uM	Antagonistic activity against N-methyl-D-aspartate glutamate receptor from rat cortical slice	ChEMBL.	1688947
Ki (binding)	= 0.087 uM	Inhibition of N-methyl-D-aspartate glutamate receptor (NMDA receptor) from homogenized rat brain membrane, using [3H]-MK-801 as a radioligand	ChEMBL.	1688947
Ki (binding)	= 0.087 uM	Inhibition of N-methyl-D-aspartate glutamate receptor (NMDA receptor) from homogenized rat brain membrane, using [3H]-MK-801 as a radioligand	ChEMBL.	1688947

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 285786