TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 292.459 | Formula: C18H32N2O
H donors: 3 H acceptors: 1 LogP: 4.75 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCc1ccc(cc1)NCC(CCO)N
InChi: 1S/C18H32N2O/c1-2-3-4-5-6-7-8-16-9-11-18(12-10-16)20-15-17(19)13-14-21/h9-12,17,20-21H,2-8,13-15,19H2,1H3
InChiKey: KJDNPUMTTRUFGN-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
Homo sapiens	sphingosine kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	sphingosine kinase 1	Get druggable targets OG5_128162	All targets in OG5_128162
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_128162	All targets in OG5_128162
Schistosoma mansoni	sphingoid long chain base kinase	Get druggable targets OG5_128162	All targets in OG5_128162
Candida albicans	similar to S. cerevisiae LCB4 (YOR171C) sphingoid long chain base (LCB) kinase	Get druggable targets OG5_128162	All targets in OG5_128162
Schistosoma mansoni	sphingosine kinase A B	Get druggable targets OG5_128162	All targets in OG5_128162
Schistosoma japonicum	ko:K00901 diacylglycerol kinase [EC2.7.1.107], putative	Get druggable targets OG5_128162	All targets in OG5_128162
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128162	All targets in OG5_128162
Echinococcus multilocularis	sphingosine kinase 1	Get druggable targets OG5_128162	All targets in OG5_128162
Candida albicans	similar to S. cerevisiae LCB4 (YOR171C) sphingoid long chain base (LCB) kinase	Get druggable targets OG5_128162	All targets in OG5_128162
Entamoeba histolytica	hypothetical protein, conserved	Get druggable targets OG5_128162	All targets in OG5_128162
Mycobacterium tuberculosis	Conserved protein	Get druggable targets OG5_128162	All targets in OG5_128162

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	sphingosine kinase A B	0.0185	0.6947	0.9765
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0219	0.0219
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0845	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Echinococcus multilocularis	geminin	0.0189	0.7114	0.7114
Brugia malayi	hypothetical protein	0.0007	0.0094	0.0094
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0278	0.0278
Trypanosoma brucei	hypothetical protein, conserved	0.0007	0.0094	0.1111
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.1208	0.1208
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0845	1
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0007	0.0094	0.0094
Leishmania major	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0007	0.0094	0.0841
Loa Loa (eye worm)	ceramide kinase	0.0007	0.0094	0.0094
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.1362	0.1362
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0219	0.0219
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0007	0.0094	0.0841
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.1208	0.1208
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1786	0.2511
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0096	0.0863
Plasmodium vivax	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0007	0.0094	0.1111
Echinococcus granulosus	ceramide kinase	0.0007	0.0094	0.0094
Schistosoma mansoni	sphingoid long chain base kinase	0.0185	0.6947	0.9765
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0007	0.0094	0.0841
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0092	0.0129
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0219
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0219	0.0309
Brugia malayi	diacylglycerol kinase	0.0007	0.0094	0.0094
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0007	0.0094	0.0094
Leishmania major	diacylglycerol kinase-like protein	0.0007	0.0094	0.1111
Echinococcus granulosus	cpg binding protein	0.0034	0.1123	0.1123
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1786	0.2511
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0845	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0123	0.0123
Schistosoma mansoni	survival motor neuron protein	0.0054	0.1893	0.2662
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Trypanosoma cruzi	hypothetical protein, conserved	0.0007	0.0094	0.1111
Trypanosoma brucei	Sphingosine kinase	0.0007	0.0094	0.1111
Mycobacterium ulcerans	hypothetical protein	0.0185	0.6947	1
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.0007	0.0094	0.0435
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0845	0.3914
Toxoplasma gondii	diacylglycerol kinase, putative	0.0007	0.0094	0.0435
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0007	0.0092	0.0092
Trichomonas vaginalis	helicase, putative	0.0007	0.0096	0.0863
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0007	0.0092	0.0092
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.1117	1
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1786	0.1786
Plasmodium vivax	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Schistosoma mansoni	cpg binding protein	0.0034	0.1123	0.1579
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0007	0.0094	0.0841
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Brugia malayi	Diacylglycerol kinase protein 2	0.0007	0.0094	0.0094
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.1208	0.1208
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0007	0.0092	0.0092
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0007	0.0094	0.0094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1786	0.2511
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.0007	0.0094	0.1111
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.1336	0.1878
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0096	0.0863
Trypanosoma cruzi	Sphingosine kinase	0.0007	0.0094	0.1111
Onchocerca volvulus		0.0007	0.0094	0.0496
Plasmodium falciparum	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0007	0.0092	0.0092
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0096	0.0863
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1786	0.1786
Schistosoma mansoni	hypothetical protein	0.0007	0.0094	0.0132
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0123	0.0123
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0092	0.0129
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0092	0.0129
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0007	0.0094	0.1111
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0007	0.0092	0.0092
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.1362	0.1915
Schistosoma mansoni	hypothetical protein	0.0054	0.1893	0.2662
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0007	0.0092	0.082
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0094	0.0841
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.1208	0.1208
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0007	0.0092	0.0092
Leishmania major	hypothetical protein, conserved	0.0027	0.0845	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0123	0.0123
Schistosoma mansoni	hypothetical protein	0.0189	0.7114	1
Brugia malayi	hypothetical protein	0.0017	0.048	0.048
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0007	0.0094	0.0132
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0219	0.0219
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1786	0.1786
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0096	0.0863
Brugia malayi	CXXC zinc finger family protein	0.0032	0.1053	0.1053
Mycobacterium tuberculosis	Diacylglycerol kinase	0.0007	0.0094	0.0135
Schistosoma mansoni	diacylglycerol kinase theta	0.0007	0.0094	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1025	0.1025
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0007	0.0092	0.0092
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0219	0.0219
Echinococcus granulosus	geminin	0.0189	0.7114	0.7114
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0094	0.0094
Trichomonas vaginalis	sphingosine kinase, putative	0.0007	0.0094	0.0841
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0007	0.0094	0.0094
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0007	0.0094	0.1111
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0219	0.0309
Trypanosoma cruzi	Sphingosine kinase	0.0007	0.0094	0.1111
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.1893	0.1893
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.1053	0.1053
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0845	1
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.1336	0.1878
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0845	0.0845
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0096	0.0863
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0007	0.0094	0.0132
Echinococcus multilocularis	ceramide kinase	0.0007	0.0094	0.0094
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0199	0.0199
Echinococcus granulosus	sphingosine kinase 1	0.0185	0.6947	0.6947
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1786	0.1786
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0278	0.0278
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0092	0.0129
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.1362	0.1362
Entamoeba histolytica	hypothetical protein	0.004	0.1362	0.1851
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0007	0.0094	0.0094
Entamoeba histolytica	hypothetical protein	0.004	0.1362	0.1851
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.1117	1
Trichomonas vaginalis	bmru protein, putative	0.0007	0.0094	0.0841
Brugia malayi	Eye-specific diacylglycerol kinase	0.0007	0.0094	0.0094
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.2159	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1786	0.1786
Echinococcus granulosus	Diacylglycerol kinase theta	0.0007	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0092	0.0092
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0007	0.0092	0.0092
Schistosoma mansoni	cpg binding protein	0.0032	0.1053	0.148
Leishmania major	sphingosine kinase A, B, putative	0.0007	0.0094	0.1111
Plasmodium falciparum	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Schistosoma mansoni	voltage-gated potassium channel	0.0006	0.0036	0.005
Schistosoma mansoni	hypothetical protein	0.004	0.1362	0.1915
Entamoeba histolytica	hypothetical protein	0.004	0.1362	0.1851
Entamoeba histolytica	hypothetical protein	0.004	0.1362	0.1851
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0094	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Onchocerca volvulus		0.0054	0.1893	1
Schistosoma mansoni	60S ribosomal protein L21	0.0006	0.0036	0.005
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0007	0.0094	0.0094
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0096	0.0863
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0092	0.0129
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0194	0.0194
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0199	0.0199
Entamoeba histolytica	hypothetical protein, conserved	0.0185	0.6947	1
Trichomonas vaginalis	sphingosine kinase, putative	0.0007	0.0094	0.0841
Mycobacterium tuberculosis	Conserved protein	0.0185	0.6947	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.244	0.3429
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0007	0.0092	0.0092
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0007	0.0094	0.0094
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0007	0.0092	0.0092
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0123	0.0123
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0123	0.0173
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0845	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0007	0.0092	0.0092
Schistosoma mansoni	hypothetical protein	0.0012	0.0278	0.039
Onchocerca volvulus	Ceramide kinase 1 homolog	0.0007	0.0094	0.0496
Echinococcus granulosus	hyperpolarization activated cyclic	0.0007	0.0092	0.0092
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1786	0.1786
Echinococcus granulosus	hyperpolarization activated cyclic	0.0007	0.0092	0.0092
Echinococcus multilocularis	cpg binding protein	0.0034	0.1123	0.1123
Echinococcus multilocularis	sphingosine kinase 1	0.0185	0.6947	0.6947
Schistosoma mansoni	cpg binding protein	0.0034	0.1123	0.1579
Schistosoma mansoni	diacylglycerol kinase theta	0.0007	0.0094	0.0132
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0007	0.0092	0.082
Mycobacterium ulcerans	diacylglycerol kinase	0.0007	0.0094	0.0135
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0007	0.0094	0.0841
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0096	0.0863
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0199	0.0199
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.0007	0.0094	0.0435
Leishmania major	hypothetical protein, conserved	0.0007	0.0094	0.1111
Brugia malayi	hypothetical protein	0.004	0.1362	0.1362
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0007	0.0092	0.0092
Brugia malayi	hypothetical protein	0.0027	0.0845	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0185	0.6947	0.6947
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0096	0.0863
Brugia malayi	diacylglycerol kinase	0.0007	0.0094	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0845	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0219	0.0219
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0096	0.0863
Trypanosoma brucei	diacylglycerol kinase, putative	0.0007	0.0094	0.1111
Trichomonas vaginalis	bmru protein, putative	0.0007	0.0094	0.0841
Onchocerca volvulus		0.0032	0.1053	0.5561
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0094	0.0094
Schistosoma mansoni	hypothetical protein	0.0189	0.7114	1
Leishmania major	hypothetical protein, conserved	0.0007	0.0094	0.1111
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0092	0.0129
Brugia malayi	Ceramide kinase	0.0007	0.0094	0.0094

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Inhibition of human sphingosine kinase 1 by off chip mobility shift assay	ChEMBL.	19800228
Inhibition (binding)		Inhibition of sphingosine kinase 2 at 10 uM	ChEMBL.	19800228

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: CHEMBL574237

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 1075666