TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.425 | Formula: C25H19N
H donors: 0 H acceptors: 0 LogP: 6.99 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)n1c2ccccc2c2c1cc(cc2)c1ccccc1
InChi: 1S/C25H19N/c1-18-11-14-21(15-12-18)26-24-10-6-5-9-22(24)23-16-13-20(17-25(23)26)19-7-3-2-4-8-19/h2-17H,1H3
InChiKey: VUTMYRGGYVAPRP-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
Schistosoma mansoni	alkaline phosphatase	0.0158	0.082	0.082
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.0701	0.078
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0168	0.0878	0.0878
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.0878	1
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0172	0.0902	0.1004
Echinococcus multilocularis	axis inhibition protein axin	0.0168	0.0878	0.0977
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0416	0.0462
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.0878	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.0252	0.028
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0878	0.0878
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0451	0.0502
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Echinococcus multilocularis	regulator of G protein signaling 7	0.0168	0.0878	0.0977
Schistosoma mansoni	lipoxygenase	0.0062	0.0239	0.0239
Echinococcus granulosus	regulator of G protein signaling 3	0.0168	0.0878	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0878	0.0878
Brugia malayi	PXA domain containing protein	0.0168	0.0878	0.0878
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0118	0.0118
Entamoeba histolytica	hypothetical protein	0.0168	0.0878	1
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0153	0.017
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0158	0.082	0.0913
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Echinococcus granulosus	axis inhibition protein axin	0.0168	0.0878	0.0977
Brugia malayi	regulator of G-protein signaling rgs-7	0.0168	0.0878	0.0878
Echinococcus granulosus	expressed conserved protein	0.0091	0.0416	0.0462
Schistosoma mansoni	z-protein (S1r protein)	0.0168	0.0878	0.0878
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0158	0.082	0.0913
Echinococcus granulosus	regulator of G protein signaling 7	0.0168	0.0878	0.0977
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0	0.5
Echinococcus granulosus	Regulator of G protein signaling 20	0.0168	0.0878	0.0977
Loa Loa (eye worm)	RGS-3 protein	0.0168	0.0878	0.0878
Brugia malayi	hypothetical protein	0.0168	0.0878	0.0878
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0168	0.0878	0.0878
Echinococcus granulosus	regulator of G protein signaling 3	0.0168	0.0878	0.0977
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0062	0.0239	0.0266
Onchocerca volvulus		0.0023	0.0008	0.0101
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0157	0.0175
Echinococcus granulosus	regulator of G protein signaling 7	0.0168	0.0878	0.0977
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0062	0.0239	0.0266
Brugia malayi	A-kinase anchor protein 10, precursor	0.0168	0.0878	0.0878
Entamoeba histolytica	hypothetical protein	0.0168	0.0878	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.0252	1
Schistosoma mansoni	regulator of G protein signaling	0.0168	0.0878	0.0878
Schistosoma mansoni	hypothetical protein	0.004	0.0109	0.0109
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0168	0.0878	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Schistosoma mansoni	regulator of G protein signaling	0.0168	0.0878	0.0878
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.046	0.046
Loa Loa (eye worm)	PXA domain-containing protein	0.0168	0.0878	0.0878
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0799	0.4675	0.5201
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.1516	0.8989	0.8989
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.1516	0.8989	1
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0878	0.0878
Schistosoma mansoni	hypothetical protein	0.004	0.0109	0.0109
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Echinococcus multilocularis	protein patched	0.0042	0.0118	0.0131
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0172	0.0902	0.0902
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0158	0.082	0.0913
Schistosoma mansoni	hypothetical protein	0.004	0.0109	0.0109
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1684	1	1
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0878	0.0878
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0008	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0157	0.0157
Schistosoma mansoni	regulator of G protein signaling	0.0168	0.0878	0.0878
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0008	0.5
Echinococcus granulosus	expressed protein	0.0168	0.0878	0.0977
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.0252	0.028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0157	0.0175
Echinococcus multilocularis	regulator of G protein signaling 7	0.0168	0.0878	0.0977
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0252	1
Schistosoma mansoni	axis inhibition protein axin	0.0168	0.0878	0.0878
Schistosoma mansoni	regulator of G protein signaling	0.0168	0.0878	0.0878
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0168	0.0878	1
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0168	0.0878	0.0977
Schistosoma mansoni	serine/threonine protein kinase	0.0172	0.0902	0.0902
Echinococcus multilocularis	regulator of G protein signaling 3	0.0168	0.0878	0.0977
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.0451	0.5093
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0157	0.0175
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0451	0.0502
Schistosoma mansoni	patched 1	0.0042	0.0118	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.0878	1
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0168	0.0878	0.0878
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0118	0.0131
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0252	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0252	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0157	0.0157
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1516	0.8989	0.8989
Echinococcus granulosus	alkaline phosphatase	0.0158	0.082	0.0913
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0451	0.0451
Schistosoma mansoni	hypothetical protein	0.0082	0.0362	0.0362
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.0878	1
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.1516	0.8989	0.8989
Echinococcus multilocularis	axis inhibition protein axin	0.0168	0.0878	0.0977
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0172	0.0902	0.1004
Plasmodium vivax	multidomain scavenger receptor, putative	0.0022	0	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0168	0.0878	0.0878
Echinococcus multilocularis	expressed protein	0.0168	0.0878	0.0977
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0168	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.0878	1
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0878	0.0878
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0252	0.0252
Entamoeba histolytica	hypothetical protein	0.0168	0.0878	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0174	0.0174
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0157	0.0157
Brugia malayi	regulator of G-protein signaling egl-10	0.0168	0.0878	0.0878
Schistosoma mansoni	axis inhibition protein axin	0.0168	0.0878	0.0878
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0168	0.0878	0.0878
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0158	0.082	0.0913
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.0252	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0118	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0252	0.0252
Schistosoma mansoni	hypothetical protein	0.004	0.0109	0.0109
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0157	0.0175
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0157	0.0157
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.0252	0.5
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0158	0.082	0.0913
Echinococcus multilocularis	regulator of G protein signaling	0.0168	0.0878	0.0977
Schistosoma mansoni	alkaline phosphatase	0.0158	0.082	0.082
Brugia malayi	CHE-14 protein	0.0042	0.0118	0.0118
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0168	0.0878	0.0977
Schistosoma mansoni	serine/threonine protein kinase	0.1684	1	1
Brugia malayi	hypothetical protein	0.0149	0.0763	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0118	0.0118
Brugia malayi	PXA domain containing protein	0.0168	0.0878	0.0878
Echinococcus multilocularis	regulator of G protein signaling 3	0.0168	0.0878	0.0977
Schistosoma mansoni	serine/threonine protein kinase	0.0172	0.0902	0.0902
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0158	0.082	0.0913
Echinococcus multilocularis	alkaline phosphatase	0.0158	0.082	0.0913
Brugia malayi	hypothetical protein	0.0168	0.0878	0.0878
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0168	0.0878	0.0878
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0157	0.0157
Echinococcus granulosus	axis inhibition protein axin	0.0168	0.0878	0.0977
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.0701	0.078
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.0878	1
Onchocerca volvulus		0.0149	0.0763	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0763	0.0763
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.1516	0.8989	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0451	0.0451
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0118	0.0131

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 44 %	Neuroprotective activity against mouse HT22 cells assessed as inhibition of HCA-induced cell injury pretreated at 30 uM for 30 mins measured after 24 hrs by MTT assay	ChEMBL.	23973819

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: CHEMBL2425165

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 1788988