TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 276.376 | Formula: C19H20N2
H donors: 0 H acceptors: 1 LogP: 3.87 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN([C@@H](c1cccc2c1cccc2)C)Cc1ccccn1
InChi: 1S/C19H20N2/c1-15(21(2)14-17-10-5-6-13-20-17)18-12-7-9-16-8-3-4-11-19(16)18/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChiKey: OEAJQMABSJEZFU-OAHLLOKOSA-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
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.006	0.0365	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0019	0.0019
Trichomonas vaginalis	bmru protein, putative	0.006	0.0365	1
Schistosoma mansoni	diacylglycerol kinase theta	0.006	0.0365	0.0365
Schistosoma mansoni	hypothetical protein	0.0125	0.0778	0.0778
Trypanosoma brucei	diacylglycerol kinase, putative	0.006	0.0365	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.026	0.0241
Schistosoma mansoni	sphingoid long chain base kinase	0.1553	1	1
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.006	0.0365	0.5
Leishmania major	diacylglycerol kinase, putative	0.006	0.0365	0.5
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.006	0.0365	0.5
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.006	0.0365	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0394	0.2515	0.2492
Trypanosoma cruzi	diacylglycerol kinase, putative	0.006	0.0365	0.5
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.006	0.0365	0.0347
Trichomonas vaginalis	diacylglycerol kinase, putative	0.006	0.0365	1
Loa Loa (eye worm)	diacylglycerol kinase 2	0.006	0.0365	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0269	0.1711	0.1686
Leishmania major	diacylglycerol kinase-like protein	0.006	0.0365	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.1553	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0153	0.0124
Onchocerca volvulus	Ceramide kinase 1 homolog	0.006	0.0365	1
Schistosoma mansoni	cpg binding protein	0.0028	0.0153	0.0153
Brugia malayi	hypothetical protein	0.006	0.0365	0.1351
Loa Loa (eye worm)	hypothetical protein	0.1553	1	1
Brugia malayi	diacylglycerol kinase	0.006	0.0365	0.1351
Plasmodium falciparum	diacylglycerol kinase, putative	0.006	0.0365	0.5
Plasmodium vivax	diacylglycerol kinase, putative	0.006	0.0365	0.5
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.006	0.0365	1
Echinococcus granulosus	dnaJ subfamily B	0.0395	0.2525	0.2511
Plasmodium vivax	diacylglycerol kinase, putative	0.006	0.0365	0.5
Echinococcus granulosus	Diacylglycerol kinase zeta	0.006	0.0365	0.0347
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.006	0.0365	0.0347
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0199	0.018
Schistosoma mansoni	hypothetical protein	0.0125	0.0778	0.0778
Loa Loa (eye worm)	hypothetical protein	0.006	0.0365	0.0336
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0125	0.0778	0.3014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.026	0.026
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.006	0.0365	1
Trypanosoma cruzi	Sphingosine kinase	0.006	0.0365	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.026	0.0241
Schistosoma mansoni	cpg binding protein	0.0029	0.0164	0.0164
Trypanosoma cruzi	Sphingosine kinase	0.006	0.0365	0.5
Trichomonas vaginalis	diacylglycerol kinase, putative	0.006	0.0365	1
Leishmania major	hypothetical protein, conserved	0.006	0.0365	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0365	0.0336
Loa Loa (eye worm)	hypothetical protein	0.006	0.0365	0.0336
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.026	0.0231
Trypanosoma brucei	hypothetical protein, conserved	0.006	0.0365	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0125	0.0778	0.0761
Toxoplasma gondii	diacylglycerol kinase, putative	0.006	0.0365	1
Echinococcus granulosus	cpg binding protein	0.0029	0.0164	0.0145
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0125	0.0778	0.0761
Brugia malayi	latrophilin 2 splice variant baaae	0.0269	0.1711	0.6766
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.026	0.0927
Leishmania major	hypothetical protein, conserved	0.006	0.0365	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.006	0.0365	0.5
Schistosoma mansoni	hypothetical protein	0.0125	0.0778	0.0778
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.026	0.026
Schistosoma mansoni	hypothetical protein	0.006	0.0365	0.0365
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.003	0.0011
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0199	0.0199
Leishmania major	sphingosine kinase A, B, putative	0.006	0.0365	0.5
Trichomonas vaginalis	sphingosine kinase, putative	0.006	0.0365	1
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.006	0.0365	0.0365
Brugia malayi	Latrophilin receptor protein 2	0.0125	0.0778	0.3014
Echinococcus multilocularis	GPCR, family 2	0.0125	0.0778	0.0761
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.006	0.0365	0.0365
Loa Loa (eye worm)	ceramide kinase	0.006	0.0365	0.0336
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.006	0.0365	1
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.006	0.0365	0.0347
Entamoeba histolytica	diacylglycerol kinase, putative	0.006	0.0365	0.017
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.006	0.0365	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0125	0.0778	0.0751
Trypanosoma brucei	Sphingosine kinase	0.006	0.0365	0.5
Mycobacterium ulcerans	hypothetical protein	0.1553	1	1
Trichomonas vaginalis	bmru protein, putative	0.006	0.0365	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.026	0.0241
Echinococcus granulosus	GPCR family 2	0.0125	0.0778	0.0761
Schistosoma mansoni	hypothetical protein	0.0125	0.0778	0.0778
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.003	0.0011
Echinococcus multilocularis	Diacylglycerol kinase theta	0.006	0.0365	0.0347
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0394	0.2515	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0153	0.05
Echinococcus multilocularis	cpg binding protein	0.0029	0.0164	0.0145
Schistosoma mansoni	hypothetical protein	0.0395	0.2525	0.2525
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.0365	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.006	0.0365	0.017
Brugia malayi	Ceramide kinase	0.006	0.0365	0.1351
Echinococcus multilocularis	dnaJ subfamily B	0.0395	0.2525	0.2511
Echinococcus multilocularis	sphingosine kinase 1	0.1553	1	1
Brugia malayi	Eye-specific diacylglycerol kinase	0.006	0.0365	0.1351
Brugia malayi	hypothetical protein	0.0035	0.0199	0.0683
Schistosoma mansoni	hypothetical protein	0.0269	0.1711	0.1711
Mycobacterium tuberculosis	Conserved protein	0.1553	1	1
Brugia malayi	Diacylglycerol kinase protein 2	0.006	0.0365	0.1351
Loa Loa (eye worm)	hypothetical protein	0.0394	0.2515	0.2492
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0125	0.0778	0.0761
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.026	0.0241
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.006	0.0365	0.5
Trichomonas vaginalis	sphingosine kinase, putative	0.006	0.0365	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0199	0.0199
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0199	0.018
Schistosoma mansoni	sphingosine kinase A B	0.1553	1	1
Trypanosoma cruzi	diacylglycerol kinase, putative	0.006	0.0365	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0354	0.0354
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.026	0.026
Plasmodium falciparum	diacylglycerol kinase, putative	0.006	0.0365	0.5
Echinococcus granulosus	Diacylglycerol kinase theta	0.006	0.0365	0.0347
Schistosoma mansoni	diacylglycerol kinase theta	0.006	0.0365	0.0365
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0125	0.0778	0.0761
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.006	0.0365	0.0336
Schistosoma mansoni	cpg binding protein	0.0029	0.0164	0.0164
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0394	0.2515	1
Onchocerca volvulus		0.006	0.0365	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.006	0.0365	0.017
Echinococcus multilocularis	ceramide kinase	0.006	0.0365	0.0347
Brugia malayi	diacylglycerol kinase	0.006	0.0365	0.1351
Entamoeba histolytica	diacylglycerol kinase, putative	0.006	0.0365	0.017
Echinococcus granulosus	ceramide kinase	0.006	0.0365	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0778	0.0751

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC80 (functional)	> 32 ug ml-1	Antifungal activity against Cryptococcus neoformans after 72 hrs by broth microdilution method	ChEMBL.	24051242

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: CHEMBL2426536

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1783440