TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 323.39 | Formula: C22H17N3
H donors: 0 H acceptors: 2 LogP: 5.46 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)c1nc2n(c1Cc1ccccc1)cc(cc2)C
InChi: 1S/C22H17N3/c1-16-7-12-21-24-22(19-10-8-18(14-23)9-11-19)20(25(21)15-16)13-17-5-3-2-4-6-17/h2-12,15H,13H2,1H3
InChiKey: SGFUPXJVFRZZCS-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

No curated genes were found associated with this compound

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
Toxoplasma gondii	Dullard family phosphatase domain-containing protein	0.0012	0.0084	0.0087
Echinococcus granulosus	NADH dehydrogenase ubiquinone 1 alpha	0.0012	0.0084	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0084	0.0088
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0084	0.0088
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0038	0.004
Trypanosoma brucei	NAD dependent epimerase/dehydratase family, putative	0.0012	0.0084	0.0084
Trypanosoma cruzi	hypothetical protein	0.0012	0.0084	0.0088
Onchocerca volvulus		0.0012	0.0084	1
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Mycobacterium leprae	Conserved hypothetical protein	0.0011	0.0038	0.4515
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0011	0.0038	0.0211
Brugia malayi	NAD dependent epimerase/dehydratase family protein	0.0012	0.0084	0.0088
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0084	0.0087
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1166	0.1216
Leishmania major	hypothetical protein, conserved	0.0012	0.0084	0.0046
Plasmodium vivax	GDP-L-fucose synthase, putative	0.0012	0.0084	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0851	0.0886
Loa Loa (eye worm)	oxidoreductase	0.0012	0.0084	0.0088
Echinococcus multilocularis		0.0012	0.0084	0.0087
Mycobacterium ulcerans	oxidoreductase	0.0012	0.0084	0.0467
Loa Loa (eye worm)	cytochrome P450 family protein	0.0011	0.0038	0.004
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0011	0.0038	0.0211
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0084	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0084	0.0087
Trichomonas vaginalis	dullard protein, putative	0.0012	0.0084	0.0087
Entamoeba histolytica	hypothetical protein	0.0036	0.0851	0.0886
Entamoeba histolytica	hypothetical protein, conserved	0.0012	0.0084	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0079	0.0082
Trichomonas vaginalis	dullard protein, putative	0.0012	0.0084	0.0087
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0084	0.0087
Entamoeba histolytica	hypothetical protein, conserved	0.0012	0.0084	0.0088
Schistosoma mansoni	hypothetical protein	0.0036	0.0851	0.0886
Loa Loa (eye worm)	UDP galactose 4'-epimerase	0.0305	0.9596	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0851	0.0886
Trypanosoma cruzi	UDP-galactose 4-epimerase, putative	0.0305	0.9596	1
Mycobacterium ulcerans	UDP-glucose 4-epimerase GalE2	0.0012	0.0084	0.0467
Brugia malayi	Cytochrome P450 family protein	0.003	0.067	0.0698
Mycobacterium ulcerans	nucleoside-diphosphate-sugar epimerase	0.0012	0.0084	0.0467
Entamoeba histolytica	UDP-glucose 4-epimerase, putative	0.0305	0.9596	1
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0011	0.0038	0.0211
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0011	0.0038	0.0211
Trypanosoma brucei	Mitochondrial import inner membrane translocase subunit TIM50	0.0012	0.0084	0.0084
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.1801	1
Echinococcus granulosus	epimerase family protein sdr39u1	0.0012	0.0084	0.0088
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0011	0.0038	0.0211
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0011	0.0038	0.0211
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.1801	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.1801	0.1877
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0011	0.0038	0.0211
Mycobacterium tuberculosis	Probable UDP-glucose 4-epimerase GalE3 (galactowaldenase) (UDP-galactose 4-epimerase) (uridine diphosphate galactose 4-epimerase	0.0012	0.0084	0.0261
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0851	0.0886
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0011	0.0038	0.004
Echinococcus multilocularis	epimerase family protein sdr39u1	0.0012	0.0084	0.0088
Toxoplasma gondii	UDP-glucose 4-epimerase	0.0305	0.9596	1
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.0084	0.0087
Echinococcus granulosus	cytochrome P450 2K1	0.0011	0.0038	0.004
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.1801	0.1877
Mycobacterium tuberculosis	Possible oxidoreductase	0.0012	0.0084	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0084	0.0088
Trypanosoma brucei	GDP-L-fucose synthetase	0.0012	0.0084	0.0084
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0011	0.0038	0.0211
Mycobacterium ulcerans	hypothetical protein	0.0012	0.0084	0.0467
Trypanosoma cruzi	UDP-galactose 4-epimerase	0.0305	0.9596	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1166	0.1216
Onchocerca volvulus		0.0012	0.0084	1
Giardia lamblia	Nucleoside-diphosphate-sugar epimerases	0.0012	0.0084	0.0084
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.1801	0.1877
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0305	0.9596	1
Mycobacterium ulcerans	hypothetical protein	0.0012	0.0084	0.0467
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.067	0.0698
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0011	0.0038	0.0211
Schistosoma mansoni	hypothetical protein	0.0011	0.0038	0.004
Trypanosoma brucei	UDP-galactose 4-epimerase	0.0318	1	1
Trichomonas vaginalis	dullard protein, putative	0.0012	0.0084	0.0087
Brugia malayi	follicle stimulating hormone receptor	0.0236	0.7346	0.7656
Trypanosoma cruzi	L-threonine 3-dehydrogenase, putative	0.0012	0.0084	0.0088
Trypanosoma cruzi	cytochrome P450, putative	0.0011	0.0038	0.004
Schistosoma mansoni	hypothetical protein	0.0012	0.0079	0.0082
Brugia malayi	hypothetical protein	0.0036	0.0851	0.0886
Echinococcus multilocularis	NADH dehydrogenase (ubiquinone) 1 alpha	0.0012	0.0084	0.0088
Echinococcus granulosus	GDP L fucose synthase	0.0012	0.0084	0.0088
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0011	0.0038	0.0211
Entamoeba histolytica	NLI interacting factor-like phosphatase domain-containing protein	0.0012	0.0084	0.0087
Mycobacterium ulcerans	hypothetical protein	0.0012	0.0084	0.0467
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0011	0.0038	0.0211
Schistosoma mansoni	hypothetical protein	0.017	0.5195	0.5414
Schistosoma mansoni	hypothetical protein	0.017	0.5195	0.5414
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0005	0.0005
Mycobacterium tuberculosis	Conserved protein	0.0012	0.0084	0.0261
Trypanosoma cruzi	L-threonine 3-dehydrogenase, putative	0.0012	0.0084	0.0088
Mycobacterium leprae	conserved hypothetical protein	0.0012	0.0084	1
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0011	0.0038	0.0038
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1166	0.1216
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0011	0.0038	0.0211
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1166	0.1216
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.0084	0.0087
Brugia malayi	epimerase/reductase	0.0012	0.0084	0.0088
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0851	0.0886
Trypanosoma cruzi	GDP-L-fucose synthetase, putative	0.0012	0.0084	0.0088
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0011	0.0038	0.0211
Mycobacterium tuberculosis	Possible oxidoreductase	0.0012	0.0084	0.0261
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0012	0.0084	0.9957
Echinococcus multilocularis	geminin	0.017	0.5195	0.5414
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1166	0.1216
Leishmania major	udp-glc 4-epimerase, putative	0.0318	1	1
Mycobacterium tuberculosis	Probable nucleotide-sugar epimerase EpiA	0.0012	0.0084	0.0261
Trypanosoma brucei	L-threonine 3-dehydrogenase	0.0012	0.0084	0.0084
Plasmodium falciparum	NLI interacting factor-like phosphatase, putative	0.0012	0.0084	0.9957
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0011	0.0038	0.0211
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.1801	0.1877
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0011	0.0038	0.0211
Plasmodium falciparum	GDP-L-fucose synthase	0.0012	0.0084	1
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1166	0.1216
Mycobacterium leprae	putative cytochrome p450	0.0011	0.0038	0.4515
Trypanosoma cruzi	GDP-mannose 4,6 dehydratase, putative	0.0012	0.0084	0.0088
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0005	0.0005
Loa Loa (eye worm)	cytochrome P450 family protein	0.0011	0.0038	0.004
Trypanosoma cruzi	NAD dependent epimerase/dehydratase family, putative	0.0012	0.0084	0.0088
Echinococcus granulosus	Carboxy terminal domain RNA polymerase II	0.0012	0.0084	0.0087
Wolbachia endosymbiont of Brugia malayi	nucleoside-diphosphate-sugar epimerase	0.0012	0.0084	1
Onchocerca volvulus		0.0012	0.0084	1
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Echinococcus multilocularis	Carboxy terminal domain RNA polymerase II	0.0012	0.0084	0.0087
Echinococcus granulosus	CTD small phosphatase protein like	0.0012	0.0084	0.0087
Toxoplasma gondii	NAD dependent epimerase/dehydratase family protein	0.0012	0.0084	0.0088
Schistosoma mansoni	NAD dependent epimerase/dehydratase	0.0012	0.0084	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0084	0.0088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1166	0.1216
Echinococcus granulosus	UDP glucose 4 epimerase	0.0305	0.9596	1
Echinococcus granulosus	geminin	0.017	0.5195	0.5414
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0851	0.0886
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1166	0.1216
Trichomonas vaginalis	UDP-glucose 4-epimerase, putative	0.0305	0.9596	1
Trypanosoma cruzi	cytochrome P450, putative	0.0011	0.0038	0.004
Trypanosoma brucei	NAD dependent epimerase/dehydratase family, putative	0.0012	0.0084	0.0084
Trypanosoma cruzi	NAD dependent epimerase/dehydratase family, putative	0.0012	0.0084	0.0088
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.1801	1
Brugia malayi	GDP-L-fucose synthetase	0.0012	0.0084	0.0088
Echinococcus granulosus	NADP binding domain	0.0012	0.0084	0.0088
Mycobacterium tuberculosis	Possible dTDP-glucose 4,6-dehydratase	0.0012	0.0084	0.0261
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0084	0.0088
Trichomonas vaginalis	dihydroflavonal-4-reductase, putative	0.0012	0.0084	0.0088
Leishmania major	hypothetical protein, conserved	0.0012	0.0084	0.0046
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0012	0.0084	0.9957
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0012	0.0084	0.0088
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0011	0.0038	0.0211
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0011	0.0038	0.0211
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0236	0.7346	0.7656
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0038	0.004
Loa Loa (eye worm)	CYP4Cod1	0.0011	0.0038	0.004
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0011	0.0038	0.0211
Entamoeba histolytica	hypothetical protein	0.0036	0.0851	0.0886
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0038	0.004
Echinococcus multilocularis		0.0011	0.0038	0.004
Echinococcus multilocularis	NAD(P) binding domain	0.0012	0.0084	0.0088
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0038	0.004
Giardia lamblia	Nuclear LIM interactor-interacting factor 1	0.0012	0.0084	0.0084
Brugia malayi	UDP galactose 4'-epimerase	0.0305	0.9596	1
Brugia malayi	cytochrome P450	0.0011	0.0038	0.004
Toxoplasma gondii	GDP-L-fucose synthetase	0.0012	0.0084	0.0088
Onchocerca volvulus		0.0012	0.0084	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0084	0.0087
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0084	0.0087
Trypanosoma brucei	cytochrome P450, putative	0.0011	0.0038	0.0038
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 27	0.0012	0.0084	0.0088
Loa Loa (eye worm)	hypothetical protein	0.001	0.0005	0.0005
Mycobacterium ulcerans	hypothetical protein	0.0012	0.0084	0.0467
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.1801	0.177
Schistosoma mansoni	UDP-glucose 4-epimerase	0.0305	0.9596	1
Schistosoma mansoni	cytochrome P450	0.0011	0.0038	0.004
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.1801	1
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0005	0.0005
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.1801	0.1877
Mycobacterium ulcerans	oxidoreductase	0.0012	0.0084	0.0467
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0305	0.9596	1
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0012	0.0084	0.0467
Chlamydia trachomatis	DNA ligase	0.001	0	0.5
Mycobacterium leprae	POSSIBLE UDP-GLUCOSE 4-EPIMERASE GALE2 (GALACTOWALDENASE) (UDP-GALACTOSE 4-EPIMERASE) (URIDINE DIPHOSPHATE GALACTOSE 4-EPIMERASE	0.0012	0.0084	1
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0084	0.0087
Echinococcus multilocularis	GDP L fucose synthase	0.0012	0.0084	0.0088
Echinococcus multilocularis	UDP glucose 4 epimerase	0.0305	0.9596	1
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0011	0.0038	0.0211
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0011	0.0038	0.0211
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0011	0.0038	0.004
Mycobacterium ulcerans	UDP-glucose 4-epimerase	0.0012	0.0084	0.0467
Brugia malayi	Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1	0.0012	0.0084	0.0087
Mycobacterium ulcerans	UDP-glucose 4-epimerase	0.0012	0.0084	0.0467
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1166	0.1216
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0038	0.004
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0011	0.0038	0.0211
Treponema pallidum	DNA ligase (lig)	0.001	0	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0011	0.0038	0.004

Activities

No activities found for this compound.

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: CHEMBL2359347

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 1750003