TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 234.296 | Formula: C16H14N2
H donors: 1 H acceptors: 1 LogP: 3.75 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1[nH]cc(n1)c1ccc(cc1)c1ccccc1
InChi: 1S/C16H14N2/c1-12-17-11-16(18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChiKey: MBBDOQNKURHTFH-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	Sodium channel alpha subunits; brain (Types I, II, III)	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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Trypanosoma brucei	trypanothione reductase	0.0113	0.16	1
Trichomonas vaginalis	glutathione reductase, putative	0.0039	0.0394	0.9098
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0039	0.0394	0.5
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0258	0.3964	0.8837
Echinococcus multilocularis	microtubule associated protein 2	0.0629	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0191	0.2867	0.8526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0421	1
Brugia malayi	Thioredoxin reductase	0.0113	0.16	0.4757
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0039	0.0394	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0114	0.1615	0.1615
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0153	0.1267
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0033	0.0285	0.162
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0039	0.0394	0.0824
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0039	0.0394	0.1171
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0039	0.0394	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0421	1
Brugia malayi	RNA binding protein	0.0191	0.2867	0.8526
Trypanosoma cruzi	trypanothione reductase, putative	0.0039	0.0394	0.0824
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0287	0.4433	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0114	0.0018
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0041	0.0421	0.1035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Brugia malayi	TAR-binding protein	0.0191	0.2867	0.8526
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0041	0.0421	0.2487
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0903	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0114	0.0018
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0019	0.007	0.0245
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2867	0.2867
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Schistosoma mansoni	hypothetical protein	0.0197	0.2959	0.2959
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0039	0.0394	0.0824
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0153	0.1267
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Brugia malayi	glutathione reductase	0.0113	0.16	0.4757
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0903	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0285	0.556
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0258	0.3964	0.8837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Trypanosoma cruzi	trypanothione reductase, putative	0.0113	0.16	1
Giardia lamblia	GTOR	0.0041	0.0421	1
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2867	0.2867
Plasmodium falciparum	thioredoxin reductase	0.0113	0.16	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0202	0.2856
Schistosoma mansoni	hypothetical protein	0.0042	0.0435	0.0435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Treponema pallidum	NADH oxidase	0.0039	0.0394	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0114	0.1615	0.1615
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0488	0.1453
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0285	0.556
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0029	0.0224	0.0666
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0421	0.1253
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0041	0.0421	0.0421
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0903	0.4697
Mycobacterium tuberculosis	Probable dehydrogenase	0.0258	0.3964	0.8837
Entamoeba histolytica	hypothetical protein	0.0042	0.0435	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0041	0.0421	0.1035
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0039	0.0394	0.0394
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0903	0.0903
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0039	0.0394	0.0824
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0041	0.0421	0.0421
Loa Loa (eye worm)	transcription factor SMAD2	0.0222	0.3363	1
Loa Loa (eye worm)	thioredoxin reductase	0.0113	0.16	0.4757
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0039	0.0394	0.2311
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0903	0.4835
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0191	0.2867	0.8526
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0435	0.0435
Plasmodium vivax	glutathione reductase, putative	0.0113	0.16	1
Echinococcus multilocularis	tumor protein p63	0.0308	0.4771	0.4771
Echinococcus multilocularis	tar DNA binding protein	0.0191	0.2867	0.2867
Schistosoma mansoni	cellular tumor antigen P53	0.0045	0.0488	0.0488
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0287	0.4433	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0039	0.0394	0.0394
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Leishmania major	trypanothione reductase	0.0113	0.16	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0029	0.0224	0.0666
Onchocerca volvulus		0.0045	0.0488	0.5
Loa Loa (eye worm)	glutathione reductase	0.0113	0.16	0.4757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0153	0.1267
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0435	0.0435
Toxoplasma gondii	NADPH-glutathione reductase	0.0039	0.0394	0.1062
Entamoeba histolytica	hypothetical protein	0.0042	0.0435	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0041	0.0421	0.1035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2867	0.2867
Echinococcus granulosus	geminin	0.0197	0.2959	0.2959
Mycobacterium tuberculosis	Probable reductase	0.0258	0.3964	0.8837
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0039	0.0394	0.0394
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0903	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0041	0.0421	0.2487
Schistosoma mansoni	hypothetical protein	0.0197	0.2959	0.2959
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0149	0.1138
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0039	0.0394	0.0824
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0114	0.0018
Loa Loa (eye worm)	RNA binding protein	0.0191	0.2867	0.8526
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0041	0.0421	0.1035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0421	1
Trichomonas vaginalis	mercuric reductase, putative	0.0039	0.0394	0.9098
Brugia malayi	hypothetical protein	0.0042	0.0435	0.1293
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0041	0.0421	0.0421
Mycobacterium tuberculosis	Probable oxidoreductase	0.0287	0.4433	1
Brugia malayi	MH2 domain containing protein	0.0222	0.3363	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0285	0.556
Echinococcus multilocularis	geminin	0.0197	0.2959	0.2959
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0258	0.3964	0.8837
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2867	0.2867
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2867	0.2867
Echinococcus granulosus	tumor protein p63	0.0308	0.4771	0.4771
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.025	0.444
Entamoeba histolytica	hypothetical protein	0.0042	0.0435	1
Plasmodium falciparum	glutathione reductase	0.0113	0.16	1
Toxoplasma gondii	thioredoxin reductase	0.0113	0.16	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0039	0.0394	0.0824
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0903	0.0903
Loa Loa (eye worm)	MH2 domain-containing protein	0.0222	0.3363	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0113	0.16	0.2985
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0285	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0324	0.6827
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0039	0.0394	0.2311
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0039	0.0394	0.1062
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0258	0.3964	0.8837
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0903	0.0903
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0039	0.0394	0.2311
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0435	0.0435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0149	0.1138
Echinococcus granulosus	tar DNA binding protein	0.0191	0.2867	0.2867
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0287	0.4433	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0903	0.126
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0039	0.0394	0.2311
Schistosoma mansoni	microtubule-associated protein tau	0.0629	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0285	0.556
Brugia malayi	RNA recognition motif domain containing protein	0.0191	0.2867	0.8526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0114	0.0018
Plasmodium vivax	thioredoxin reductase, putative	0.0113	0.16	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0903	0.0903
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0187	0.2387
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0421	0.1253
Entamoeba histolytica	hypothetical protein	0.0042	0.0435	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1460 nM	Concentration required to inhibit [3H]-BTX binding to Sodium channel of rat brain	ChEMBL.	15177465
IC50 (binding)	= 1460 nM	Concentration required to inhibit [3H]-BTX binding to Sodium channel of rat brain	ChEMBL.	15177465

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 205199