TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 507.067 | Formula: C29H35ClN4O2
H donors: 1 H acceptors: 2 LogP: 7.02 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N1CCC[C@H]1C(=N)N)c1ccc(cc1)c1occ(n1)c1cccc(c1)CCC1CCCCC1.Cl
InChi: 1S/C29H34N4O2.ClH/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20;/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31);1H/t26-;/m0./s1
InChiKey: LJJCBAJFIJWQEN-SNYZSRNZSA-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
Mus musculus	sphingosine kinase 2	Starlite/ChEMBL	References
Homo sapiens	sphingosine kinase 1	Starlite/ChEMBL	References
Homo sapiens	sphingosine kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus multilocularis	sphingosine kinase 1	Get druggable targets OG5_128162	All targets in OG5_128162
Mycobacterium tuberculosis	Conserved protein	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 ulcerans	hypothetical protein	Get druggable targets OG5_128162	All targets in OG5_128162
Echinococcus granulosus	sphingosine kinase 1	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

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0022	0.0084	0.0204
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0127	0.0764	0.2158
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.1659
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.0022	0.0084	0.0727
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Brugia malayi	hypothetical protein	0.0022	0.0084	0.2463
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0063	0.0162
Plasmodium falciparum	thioredoxin reductase	0.0056	0.0304	1
Schistosoma mansoni	cpg binding protein	0.0036	0.0176	0.0176
Trypanosoma brucei	unspecified product	0.0016	0.0047	0.1054
Schistosoma mansoni	hypothetical protein	0.0022	0.0084	0.0084
Echinococcus granulosus	ferritin	0.001	0.001	0.001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0024	0.2098
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0092	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0164	0.0431
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.0392	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0019	0.007	0.0219
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0092	0.0235
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.0219
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0092	0.0891
Loa Loa (eye worm)	hypothetical protein	0.004	0.0204	0.0547
Schistosoma mansoni	ferritin	0.001	0.001	0.001
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0065	0.1867
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0063	0.1786
Onchocerca volvulus	Ceramide kinase 1 homolog	0.0022	0.0084	0.4317
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0063	0.1786
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0063	0.1786
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0063	0.0063
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0022	0.0084	0.2029
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0024	0.0031
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0092	0.0235
Brugia malayi	ImpB/MucB/SamB family protein	0.0053	0.0285	0.8788
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Schistosoma mansoni	hypothetical protein	0.0019	0.0065	0.0065
Brugia malayi	glutathione reductase	0.0056	0.0304	0.9387
Echinococcus granulosus	dnaJ subfamily B	0.0483	0.3047	0.3047
Schistosoma mansoni	hypothetical protein	0.0019	0.0065	0.0065
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0019	0.007	0.1659
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0019	0.007	0.0172
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0092	0.0092
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0063	0.0142
Plasmodium vivax	vivapain-2	0.0018	0.0063	0.1903
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0092	0.0226
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.007	0.007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0047	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0572	0.1602
Echinococcus multilocularis	ceramide kinase	0.0022	0.0084	0.0084
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Brugia malayi	Diacylglycerol kinase protein 2	0.0022	0.0084	0.2463
Schistosoma mansoni	ferritin light chain	0.001	0.001	0.001
Trichomonas vaginalis	sphingosine kinase, putative	0.0022	0.0084	0.9093
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0022	0.0084	0.0084
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Brugia malayi	diacylglycerol kinase	0.0022	0.0084	0.2463
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0063	0.0063
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.007	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.1659
Echinococcus multilocularis	cathepsin L	0.0009	0.0006	0.0006
Trypanosoma cruzi	cruzipain precursor, putative	0.0069	0.0392	1
Leishmania major	cathepsin L-like protease	0.0069	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0065	0.015
Trypanosoma brucei	unspecified product	0.0023	0.0092	0.2231
Treponema pallidum	NADH oxidase	0.0019	0.007	1
Echinococcus granulosus	sphingosine kinase 1	0.0554	0.3502	0.3502
Echinococcus granulosus	cathepsin L	0.0009	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0019	0.0065	0.0065
Schistosoma mansoni	apoferritin-2	0.001	0.001	0.001
Schistosoma mansoni	DNA polymerase eta	0.0053	0.0285	0.0285
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0022	0.0084	0.0204
Trypanosoma brucei	hypothetical protein, conserved	0.0022	0.0084	0.2029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0092	0.0246
Brugia malayi	diacylglycerol kinase	0.0022	0.0084	0.2463
Trypanosoma cruzi	major cysteine proteinase, putative	0.0055	0.0296	0.7525
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0063	0.0063
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0127	0.0764	0.2158
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0024	0.0031
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0009	0.0006	0.0006
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0063	0.1786
Trichomonas vaginalis	bmru protein, putative	0.0022	0.0084	0.9093
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0063	0.0063
Mycobacterium ulcerans	diacylglycerol kinase	0.0022	0.0084	0.0213
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.1659
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0063	0.1786
Toxoplasma gondii	NADPH-glutathione reductase	0.0019	0.007	0.0244
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0092	1
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0022	0.0084	0.9093
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.007	0.007
Echinococcus multilocularis	cysteine protease	0.0018	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0204
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0127	0.0764	0.2158
Schistosoma mansoni	cpg binding protein	0.0034	0.0164	0.0164
Loa Loa (eye worm)	ceramide kinase	0.0022	0.0084	0.0204
Echinococcus multilocularis	cpg binding protein	0.0036	0.0176	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0324	0.089
Onchocerca volvulus		0.0018	0.0063	0.2775
Trypanosoma cruzi	trypanothione reductase, putative	0.0056	0.0304	0.7734
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Echinococcus granulosus	GPCR family 2	0.0019	0.0065	0.0065
Loa Loa (eye worm)	cysteine protease	0.0018	0.0063	0.0142
Entamoeba histolytica	diacylglycerol kinase, putative	0.0022	0.0084	0.0224
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0097	0.0572	0.1619
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0022	0.0084	0.2029
Echinococcus granulosus	thioredoxin glutathione reductase	0.0056	0.0304	0.0304
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0022	0.0084	0.0084
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0142	0.0855	0.2419
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0022	0.0084	0.9093
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0056	0.0304	0.0304
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0013	0.0013
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.0392	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.1659
Schistosoma mansoni	microtubule-associated protein tau	0.1566	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0019	0.007	0.0172
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0065	0.0065
Echinococcus multilocularis	cysteine protease	0.0018	0.0063	0.0063
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0092	0.0092
Onchocerca volvulus		0.0018	0.0063	0.2775
Echinococcus multilocularis	ferritin	0.001	0.001	0.001
Mycobacterium tuberculosis	Conserved protein	0.0554	0.3502	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0063	0.0063
Schistosoma mansoni	sphingosine kinase A B	0.0554	0.3502	0.3502
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0019	0.007	0.2144
Plasmodium falciparum	glutathione reductase	0.0056	0.0304	1
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0092	1
Onchocerca volvulus		0.0018	0.0063	0.2775
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0024	0.2098
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0056	0.0304	0.0843
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.0392	1
Echinococcus granulosus	cathepsin l1	0.0018	0.0063	0.0063
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0019	0.007	0.1659
Plasmodium falciparum	diacylglycerol kinase, putative	0.0022	0.0084	0.2623
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.007	0.1659
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0084	0.2029
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0019	0.007	0.0172
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0022	0.0084	0.0084
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0022	0.0084	0.0084
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0065	0.0065
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Leishmania major	DNA polymerase eta, putative	0.0037	0.0184	0.3696
Leishmania major	trypanothione reductase	0.0056	0.0304	0.7343
Onchocerca volvulus		0.0018	0.0063	0.2775
Leishmania major	hypothetical protein, conserved	0.0022	0.0084	0.0653
Mycobacterium ulcerans	hypothetical protein	0.0554	0.3502	1
Echinococcus granulosus	ceramide kinase	0.0022	0.0084	0.0084
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0022	0.0084	0.9093
Schistosoma mansoni	apoferritin-2	0.001	0.001	0.001
Trypanosoma cruzi	DNA polymerase eta, putative	0.0053	0.0285	0.724
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0022	0.0084	0.0084
Leishmania major	hypothetical protein, conserved	0.0022	0.0084	0.0653
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0063	0.2775
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0063	0.1786
Mycobacterium tuberculosis	Probable dehydrogenase	0.0127	0.0764	0.2158
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0063	0.0353	0.8997
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0022	0.0084	0.9093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Echinococcus granulosus	expressed protein	0.001	0.001	0.001
Loa Loa (eye worm)	ctsf protein	0.0018	0.0063	0.0142
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0092	0.2708
Plasmodium falciparum	diacylglycerol kinase, putative	0.0022	0.0084	0.2623
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0063	0.6595
Echinococcus multilocularis	sphingosine kinase 1	0.0554	0.3502	0.3502
Brugia malayi	Eye-specific diacylglycerol kinase	0.0022	0.0084	0.2463
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0184	0.4623
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0065	0.0065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Loa Loa (eye worm)	thioredoxin reductase	0.0056	0.0304	0.0834
Toxoplasma gondii	diacylglycerol kinase, putative	0.0022	0.0084	0.0727
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0024	0.0568
Schistosoma mansoni	hypothetical protein	0.0019	0.0065	0.0065
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0.0037	0.0975
Schistosoma mansoni	diacylglycerol kinase theta	0.0022	0.0084	0.0084
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0063	0.0063
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.007	0.1659
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0092	0.2231
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0009	0.0006	0.0006
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0065	0.015
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0019	0.007	0.0219
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.0022	0.0084	0.2029
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0024	0.0031
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.007	1
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0063	0.0162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.0024	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0084	0.9093
Schistosoma mansoni	hypothetical protein	0.0483	0.3047	0.3047
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.007	0.1659
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Loa Loa (eye worm)	glutathione reductase	0.0056	0.0304	0.0834
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0012	0.0024	0.0568
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.0063	0.1903
Onchocerca volvulus		0.0022	0.0084	0.4317
Echinococcus multilocularis	microtubule associated protein 2	0.1566	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Entamoeba histolytica	diacylglycerol kinase, putative	0.0022	0.0084	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0063	0.0142
Trichomonas vaginalis	bmru protein, putative	0.0022	0.0084	0.9093
Trypanosoma brucei	trypanothione reductase	0.0056	0.0304	0.7734
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.0324	1
Trypanosoma brucei	Sphingosine kinase	0.0022	0.0084	0.2029
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0127	0.0764	0.892
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.1659
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.007	0.007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0047	0.1054
Echinococcus granulosus	cathepsin L cysteine protease	0.0009	0.0006	0.0006
Trypanosoma brucei	DNA polymerase eta, putative	0.0053	0.0285	0.724
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0012	0.0196
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0092	0.2231
Trypanosoma cruzi	Sphingosine kinase	0.0022	0.0084	0.2029
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.0324	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.0022	0.0084	0.0224
Onchocerca volvulus		0.0034	0.0164	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0142	0.0855	0.2419
Trypanosoma brucei	diacylglycerol kinase, putative	0.0022	0.0084	0.2029
Schistosoma mansoni	diacylglycerol kinase theta	0.0022	0.0084	0.0084
Loa Loa (eye worm)	fibroinase	0.0018	0.0063	0.0142
Brugia malayi	cathepsin L-like precursor	0.0012	0.0024	0.0568
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0358	1
Leishmania major	sphingosine kinase A, B, putative	0.0022	0.0084	0.0653
Leishmania major	cathepsin L-like protease	0.0069	0.0392	1
Echinococcus granulosus	cpg binding protein	0.0036	0.0176	0.0176
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0013	0.0013
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0063	0.2775
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.0063	0.1903
Brugia malayi	Ceramide kinase	0.0022	0.0084	0.2463
Mycobacterium tuberculosis	Probable reductase	0.0127	0.0764	0.2158
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.1659
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0009	0.0006	0.0006
Plasmodium falciparum	thioredoxin reductase	0.0019	0.007	0.2144
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0072	0.0408	0.0408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Echinococcus multilocularis	dnaJ subfamily B	0.0483	0.3047	0.3047
Schistosoma mansoni	ferritin	0.001	0.001	0.001
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0092	0.0092
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0022	0.0084	0.2029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0022	0.0084	0.0084
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0063	0.0142
Plasmodium vivax	vivapain-2	0.0018	0.0063	0.1903
Trypanosoma brucei	unspecified product	0.0016	0.0047	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0554	0.3502	1
Echinococcus multilocularis	expressed protein	0.001	0.001	0.001
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.007	0.0219
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0092	0.0235
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Schistosoma mansoni	ferritin	0.001	0.001	0.001
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0022	0.0084	0.2029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0092	0.0092
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.007	0.2013
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0092	0.0235
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Trichomonas vaginalis	mercuric reductase, putative	0.0019	0.007	0.7433
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0019	0.007	0.0244
Leishmania major	diacylglycerol kinase-like protein	0.0022	0.0084	0.0653
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0022	0.0084	0.0084
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0142	0.0855	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0065	0.0065
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0019	0.007	0.0172
Schistosoma mansoni	ferritin light chain	0.001	0.001	0.001
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Schistosoma mansoni	cpg binding protein	0.0036	0.0176	0.0176
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0019	0.007	0.2144
Plasmodium falciparum	glutathione reductase	0.0019	0.007	0.2144
Trypanosoma cruzi	cysteine peptidase, putative	0.0018	0.0063	0.1472
Onchocerca volvulus		0.0018	0.0063	0.2775
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0092	0.2231
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0204
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0063	0.0162
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0084	0.0204
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0184	0.4112
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0024	0.0052
Plasmodium vivax	thioredoxin reductase, putative	0.0056	0.0304	1
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.0022	0.0084	0.0727
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0204	0.6236
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.007	1
Schistosoma mansoni	sphingoid long chain base kinase	0.0554	0.3502	0.3502
Schistosoma mansoni	hypothetical protein	0.004	0.0204	0.0204
Onchocerca volvulus		0.0018	0.0063	0.2775
Toxoplasma gondii	thioredoxin reductase	0.0056	0.0304	0.8172
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.0324	0.089
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0065	0.1867
Echinococcus granulosus	dna polymerase eta	0.0053	0.0285	0.0285
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0047	0.1054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0063	0.0063
Leishmania major	diacylglycerol kinase, putative	0.0022	0.0084	0.0653
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.007	0.1659
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0092	0.0092
Onchocerca volvulus		0.0018	0.0063	0.2775
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.0063	0.1903
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0065	0.0065
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0063	0.0063
Echinococcus granulosus	Diacylglycerol kinase theta	0.0022	0.0084	0.0084
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Leishmania major	DNA polymerase eta, putative	0.0053	0.0285	0.6764
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Echinococcus granulosus	cathepsin l1	0.0012	0.0024	0.0024
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0092	0.0891
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0063	0.6595
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0019	0.007	0.2144
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0092	0.0092
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0285	0.078
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0063	0.2775
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0024	0.0568
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0063	0.1786
Trypanosoma cruzi	trypanothione reductase, putative	0.0019	0.007	0.1659
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.0392	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0063	0.6595
Brugia malayi	Thioredoxin reductase	0.0056	0.0304	0.9387
Trichomonas vaginalis	glutathione reductase, putative	0.0019	0.007	0.7433
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0164	0.4957
Plasmodium vivax	diacylglycerol kinase, putative	0.0022	0.0084	0.2623
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0127	0.0764	0.2158
Schistosoma mansoni	ferritin	0.001	0.001	0.001
Trichomonas vaginalis	ferritin, putative	0.001	0.001	0.0464
Leishmania major	cathepsin L-like protease	0.0069	0.0392	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0097	0.0572	0.1619
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0063	0.6595
Echinococcus multilocularis	dna polymerase eta	0.0053	0.0285	0.0285
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0.0037	0.0975
Mycobacterium tuberculosis	Diacylglycerol kinase	0.0022	0.0084	0.0213
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0092	0.2231
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0022	0.0084	0.2029
Trypanosoma cruzi	Sphingosine kinase	0.0022	0.0084	0.2029
Entamoeba histolytica	diacylglycerol kinase, putative	0.0022	0.0084	0.0224
Plasmodium vivax	diacylglycerol kinase, putative	0.0022	0.0084	0.2623
Echinococcus granulosus	cysteine protease	0.0009	0.0006	0.0006
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0019	0.007	0.2144
Mycobacterium tuberculosis	Probable oxidoreductase	0.0142	0.0855	0.2419
Trichomonas vaginalis	sphingosine kinase, putative	0.0022	0.0084	0.9093
Plasmodium vivax	glutathione reductase, putative	0.0056	0.0304	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0022	0.0084	0.9093
Entamoeba histolytica	hypothetical protein, conserved	0.0554	0.3502	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of SPHK1 in human U937 cells assessed as reduction of sphingosine 1-phosphate level at 100 nM after 2 hrs by LC/MS/MS analysis	ChEMBL.	21495716
Ki (binding)	= 0.047 uM	Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells	ChEMBL.	21495716
Ki (binding)	= 0.05 uM	Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting	ChEMBL.	23845219
Ki (binding)	= 4.2 uM	Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells	ChEMBL.	21495716
Ki (binding)	= 4.2 uM	Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting	ChEMBL.	23845219

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: CHEMBL1774587

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1557523