TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.485 | Formula: C22H31NO5
H donors: 4 H acceptors: 4 LogP: 1.79 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]1N(CCCCCOCc2ccc3c(c2)cccc3)C[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20-,21+,22+/m0/s1
InChiKey: RTNFUFFWGXVOPY-FNAHDJPLSA-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	glucosidase, beta (bile acid) 2	Starlite/ChEMBL	References
Homo sapiens	UDP-glucose ceramide glucosyltransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma japonicum	ko:K00720 ceramide glucosyltransferase [EC2.4.1.80], putative	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma japonicum	Non-lysosomal glucosylceramidase, putative	Get druggable targets OG5_130651	All targets in OG5_130651
Echinococcus multilocularis	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma japonicum	Ceramide glucosyltransferase, putative	Get druggable targets OG5_129848	All targets in OG5_129848
Loa Loa (eye worm)	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Echinococcus granulosus	non lysosomal glucosylceramidase	Get druggable targets OG5_130651	All targets in OG5_130651
Echinococcus granulosus	bile acid beta glucosidase	Get druggable targets OG5_130651	All targets in OG5_130651
Candida albicans	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma mansoni	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Echinococcus multilocularis	bile acid beta glucosidase	Get druggable targets OG5_130651	All targets in OG5_130651
Schistosoma mansoni	bile acid beta-glucosidase-related	Get druggable targets OG5_130651	All targets in OG5_130651
Candida albicans	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Brugia malayi	Ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Onchocerca volvulus	Ceramide glucosyltransferase homolog	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma mansoni	bile acid beta-glucosidase-related	Get druggable targets OG5_130651	All targets in OG5_130651
Schistosoma japonicum	Non-lysosomal glucosylceramidase, putative	Get druggable targets OG5_130651	All targets in OG5_130651
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130651	All targets in OG5_130651
Echinococcus multilocularis	non lysosomal glucosylceramidase	Get druggable targets OG5_130651	All targets in OG5_130651
Echinococcus granulosus	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma japonicum	Non-lysosomal glucosylceramidase, putative	Get druggable targets OG5_130651	All targets in OG5_130651

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	helicase	0.0071	0.0708	0.2154
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.011	0.0207
Echinococcus multilocularis	glycine receptor subunit beta	0.0025	0.0167	0.016
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.0167	0.016
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0025	0.0167	0.0492
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0167	0.0453
Echinococcus multilocularis	BRK domain	0.0012	0.0015	0.0008
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.0167	0.0492
Giardia lamblia	DNA repair protein RAD52	0.0369	0.4212	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0014	0.003	0.0071
Echinococcus granulosus	non lysosomal glucosylceramidase	0.0251	0.2832	0.8672
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Echinococcus granulosus	bile acid beta glucosidase	0.0251	0.2832	0.8672
Onchocerca volvulus		0.0169	0.1856	0.5677
Brugia malayi	BRM protein	0.0071	0.0708	0.1984
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0169	0.1857	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.0397	0.1104
Echinococcus multilocularis	dna polymerase kappa	0.002	0.011	0.0104
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0025	0.0167	0.0453
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0014	0.003	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.04	0.0819
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0025	0.0167	0.0453
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0397	0.0391
Echinococcus granulosus	nAChR subunit	0.0014	0.003	0.0071
Echinococcus multilocularis	global transcription activator snf2l2	0.0071	0.0708	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.0167	0.0453
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.0167	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0025	0.0167	0.016
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.0167	0.0492
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0.011	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1099	0.3088
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0025	0.0167	0.0492
Schistosoma mansoni	patched 1	0.0045	0.0397	0.1199
Schistosoma mansoni	hypothetical protein	0.0043	0.0378	0.114
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0015	0.0008
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0251	0.0692
Echinococcus multilocularis	Niemann Pick C1 protein	0.0104	0.1099	0.1093
Onchocerca volvulus		0.0025	0.0167	0.0492
Echinococcus multilocularis	dna polymerase eta	0.002	0.011	0.0104
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3545	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Schistosoma mansoni	ceramide glucosyltransferase	0.0288	0.3264	1
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0288	0.3264	0.9207
Loa Loa (eye worm)	hypothetical protein	0.0157	0.1719	0.4839
Echinococcus multilocularis	nAChR subunit	0.0025	0.0167	0.016
Schistosoma mansoni	DNA polymerase eta	0.002	0.011	0.0319
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.0167	0.0492
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.011	0.0293
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0152	0.1655	0.449
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0025	0.0167	0.0492
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.0167	0.0492
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.011	0.0104
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0251	0.2832	0.8672
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0309	0.0856
Brugia malayi	Cation transporter family protein	0.0025	0.0167	0.0453
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3545	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.0167	0.016
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Onchocerca volvulus		0.0169	0.1856	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.017	0.1869	0.5264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0025	0.0167	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0025	0.0167	0.0453
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0025	0.0167	0.0453
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3545	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0025	0.0167	0.016
Loa Loa (eye worm)	helicase DNA-binding protein	0.0012	0.0015	0.0023
Onchocerca volvulus		0.0025	0.0167	0.0492
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0015	0.0008
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Loa Loa (eye worm)	hypothetical protein	0.002	0.011	0.0293
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.0167	0.0453
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0106	0.1118	0.3413
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Echinococcus granulosus	dna polymerase kappa	0.002	0.011	0.0319
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3545	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0104	0.1099	0.2557
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0167	0.0453
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0309	0.093
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.3545	1
Echinococcus multilocularis	bile acid beta glucosidase	0.0251	0.2832	0.2827
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0309	0.0303
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0152	0.1655	0.4373
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.011	0.0293
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2411	0.6781
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0025	0.0167	0.0492
Giardia lamblia	Ceramide glucosyltransferase	0.0131	0.1408	0.3164
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0015	0.0008
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.0167	0.0492
Toxoplasma gondii	hypothetical protein	0.0052	0.0478	1
Onchocerca volvulus	Putative nachr subunit	0.0025	0.0167	0.0492
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0397	0.1104
Echinococcus granulosus	BRK domain containing protein	0.0012	0.0015	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.0167	0.0492
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.0167	0.0492
Echinococcus granulosus	glycine receptor subunit beta	0.0025	0.0167	0.0492
Echinococcus multilocularis	protein dispatched 1	0.0051	0.0472	0.0465
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.011	0.025
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0025	0.0167	0.016
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.04	0.0819
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.011	0.0207
Onchocerca volvulus		0.0014	0.003	0.0071
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1856	0.5227
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0281	0.0733
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0281	0.0733
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0025	0.0167	0.0453
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0025	0.0167	0.0453
Echinococcus granulosus	Niemann Pick C1 protein	0.0104	0.1099	0.3354
Echinococcus multilocularis	expressed conserved protein	0.0098	0.1025	0.1019
Entamoeba histolytica	hypothetical protein	0.0105	0.1105	0.2571
Echinococcus multilocularis	nAChR subunit	0.0014	0.003	0.0023
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.032	0.3642	1
Brugia malayi	Associated with TFs and helicases family protein	0.0012	0.0015	0.0023
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0025	0.0167	0.016
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0105	0.1105	0.2571
Brugia malayi	Cation transporter family protein	0.0169	0.1856	0.5227
Echinococcus granulosus	global transcription activator snf2l2	0.0071	0.0708	0.2154
Echinococcus granulosus	ceramide glucosyltransferase	0.0288	0.3264	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.011	0.0293
Mycobacterium ulcerans	hypothetical protein	0.0169	0.1857	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0025	0.0167	0.0453
Echinococcus granulosus	expressed conserved protein	0.0098	0.1025	0.3125
Echinococcus granulosus	glycine receptor subunit beta	0.0025	0.0167	0.0492
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0169	0.1856	0.5677
Echinococcus granulosus	dna polymerase eta	0.002	0.011	0.0319
Brugia malayi	Ceramide glucosyltransferase	0.0288	0.3264	0.9207
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.0167	0.016
Loa Loa (eye worm)	BRM protein	0.0037	0.0303	0.0838
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0025	0.0167	0.0453
Onchocerca volvulus		0.0014	0.003	0.0071
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Loa Loa (eye worm)	LGC-31 protein	0.0025	0.0167	0.0453
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0014	0.003	0.0071
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0015	0.0008
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0025	0.0167	0.016
Echinococcus multilocularis	chromodomain helicase DNA binding protein 7	0.0012	0.0015	0.0008
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0025	0.0167	0.0453
Echinococcus multilocularis	Chromo domain	0.0012	0.0015	0.0008
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3545	1
Echinococcus multilocularis	ceramide glucosyltransferase	0.0288	0.3264	0.326
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Schistosoma mansoni	hypothetical protein	0.0012	0.0015	0.0025
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.3545	1
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0369	0.4212	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0104	0.1099	0.3088
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.032	0.3642	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.011	0.0319
Schistosoma mansoni	nAChR subunit	0.0025	0.0167	0.0492
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.032	0.3642	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0251	0.2832	0.8672
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1856	0.5227
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Leishmania major	mitochondrial DNA polymerase beta	0.032	0.3642	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0169	0.1856	0.5677
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.04	0.101
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2411	0.6781
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0013	0.0022	0.0464
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0025	0.0167	0.0492
Schistosoma mansoni	hypothetical protein	0.0043	0.0378	0.114
Echinococcus granulosus	nAChR subunit	0.0025	0.0167	0.0492
Plasmodium falciparum	DEAD/DEAH box helicase, putative	0.0011	0	0.5
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0397	0.1199
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0025	0.0167	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Echinococcus granulosus	Chromo domain	0.0012	0.0015	0.0025
Plasmodium vivax	DEAD/DEAH helicase, putative	0.0011	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0014	0.003	0.0065
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0014	0.003	0.0065
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0309	0.0856
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.04	0.0819
Brugia malayi	excitatory GABA receptor EXP-1A	0.0025	0.0167	0.0453
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.0167	0.0453
Echinococcus granulosus	Niemann Pick C1 protein	0.0149	0.1627	0.4974
Brugia malayi	CHE-14 protein	0.0045	0.0397	0.1104
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.011	0.0207
Echinococcus multilocularis	protein patched	0.0045	0.0397	0.0391
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.0251	0.2832	0.2827
Trypanosoma brucei	unspecified product	0.002	0.011	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0025	0.0167	0.0453
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0397	0.1199
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.011	0.0319
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0014	0.003	0.0065
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0025	0.0167	0.0453
Loa Loa (eye worm)	BRM protein	0.0045	0.0405	0.1127
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0015	0.0008
Schistosoma mansoni	hypothetical protein	0.0043	0.0378	0.114
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.035	0.1054
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.011	0.0319
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0167	0.0453
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0025	0.0167	0.016
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0288	0.3264	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.011	0.0207
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0167	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0516	0.1439
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.0167	0.016
Echinococcus multilocularis	BRK domain containing protein	0.0012	0.0015	0.0008
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.0167	0.016
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.0167	0.0453
Schistosoma mansoni	hypothetical protein	0.0043	0.0378	0.114
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.2281	0.6982
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0397	0.1064
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.0167	0.0453
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.035	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Onchocerca volvulus		0.0169	0.1856	0.5677
Schistosoma mansoni	hypothetical protein	0.0012	0.0015	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2281	0.6412
Onchocerca volvulus		0.0025	0.0167	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0453
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.0516	0.1148
Echinococcus multilocularis	Niemann Pick C1 protein	0.0149	0.1627	0.1622
Loa Loa (eye worm)	GABA receptor subunit	0.0014	0.003	0.0065
Schistosoma mansoni	ceramide glucosyltransferase	0.0288	0.3264	1
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.011	0.0207
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.011	0.025
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3545	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.003	0.0065
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0152	0.1655	0.4373
Brugia malayi	Cation transporter family protein	0.0025	0.0167	0.0453
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0014	0.003	0.0071

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 nM	Inhibition of GBA2 (unknown origin)	ChEMBL.	25250725
IC50 (binding)	= 3 nM	Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide	ChEMBL.	25250725
IC50 (binding)	= 50 uM	Inhibition of GBA1 (unknown origin) using beta-D-[1-14C]glucocerebroside assessed as 4-methylumbelliferrone by fluorimetry	ChEMBL.	25250725

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.

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External resources for this compound

ChEMBL: CHEMBL3354035

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 942495