TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 603.032 | Formula: C30H30ClF3N4O4
H donors: 2 H acceptors: 3 LogP: 4.85 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: O=C([C@H](NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F)COCc1ccccc1)N[C@@H]1CN2CCC1CC2
InChi: 1S/C30H30ClF3N4O4/c31-23-15-21(30(32,33)34)8-9-26(23)42-29-22(7-4-12-35-29)27(39)37-25(18-41-17-19-5-2-1-3-6-19)28(40)36-24-16-38-13-10-20(24)11-14-38/h1-9,12,15,20,24-25H,10-11,13-14,16-18H2,(H,36,40)(H,37,39)/t24-,25-/m1/s1
InChiKey: CJULAJSWQHZFAG-JWQCQUIFSA-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	UDP-glucose ceramide glucosyltransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
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
Schistosoma japonicum	ko:K00720 ceramide glucosyltransferase [EC2.4.1.80], putative	Get druggable targets OG5_129848	All targets in OG5_129848
Brugia malayi	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
Onchocerca volvulus	Ceramide glucosyltransferase homolog	Get druggable targets OG5_129848	All targets in OG5_129848
Schistosoma mansoni	ceramide glucosyltransferase	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	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848
Echinococcus multilocularis	ceramide glucosyltransferase	Get druggable targets OG5_129848	All targets in OG5_129848

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
Echinococcus multilocularis	cpg binding protein	0.0034	0.0378	0.0331
Plasmodium falciparum	ataxin-2 like protein, putative	0.0083	0.1288	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0344	0.0297
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0381	0.0334
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0749	0.0704
Brugia malayi	hypothetical protein	0.0264	0.4656	0.7568
Schistosoma mansoni	transcription factor LCR-F1	0.0193	0.3339	0.3307
Echinococcus granulosus	aryl hydrocarbon receptor	0.0027	0.0243	0.0195
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.09	0.5725
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0051	0.0687	0.5095
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0412	0.0366
Brugia malayi	hypoxia-induced factor 1	0.0317	0.5642	0.9187
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0381	0.0334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0495	0.1058
Brugia malayi	Ceramide glucosyltransferase	0.0288	0.5097	0.8291
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0345	0.0298
Echinococcus granulosus	lamin	0.006	0.0871	0.0827
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.1847	0.2954
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0051	0.0687	0.0642
Plasmodium falciparum	ataxin-2 like protein, putative	0.0083	0.1288	1
Brugia malayi	hypothetical protein	0.0054	0.0742	0.1139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0495	0.1058
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.1017	0.0973
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0016	0.0048	0.000000043585
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0697	0.0652
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0474	0.1013
Brugia malayi	cytoplasmic intermediate filament protein	0.0032	0.035	0.0495
Mycobacterium leprae	Possible regulatory protein	0.0027	0.0243	0.5
Loa Loa (eye worm)	intermediate filament protein	0.006	0.0871	0.1351
Giardia lamblia	Ceramide glucosyltransferase	0.0131	0.2173	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0749	0.0704
Brugia malayi	Protein kinase domain containing protein	0.0016	0.0048	0.000000071234
Entamoeba histolytica	hypothetical protein	0.0193	0.3339	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0255	0.0545
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0027	0.0243	0.0519
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0309	0.0661
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0697	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0381	0.0546
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0412	0.0366
Schistosoma mansoni	single-minded	0.0103	0.1653	0.1612
Echinococcus granulosus	expressed protein	0.0038	0.0446	0.04
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.055	0.1175
Echinococcus multilocularis	survival motor neuron protein 1	0.0264	0.4656	0.463
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0038	0.0446	0.0653
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0309	0.0661
Brugia malayi	Death domain containing protein	0.0016	0.0048	0.000000071234
Echinococcus granulosus	transcription factor btf3	0.0039	0.0474	0.0427
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0412	0.0597
Onchocerca volvulus		0.0034	0.0381	0.0658
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0309	0.0661
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.1035	0.0992
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.004	0.0496	0.3533
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0255	0.0545
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0474	0.0427
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0697	0.0652
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0027	0.0243	0.0519
Schistosoma mansoni	lamin	0.006	0.0871	0.0827
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0051	0.0687	0.5095
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0317	0.5642	0.9187
Loa Loa (eye worm)	phosphatidylinositol 3	0.0051	0.0687	0.1049
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0021	0.0138	0.0613
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0017	0.0063	0.0015
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0037	0.0439	0.0392
Trichomonas vaginalis	guanylate cyclase, putative	0.0027	0.0243	0.0519
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0381	0.0334
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0193	0.3339	0.3307
Entamoeba histolytica	hypothetical protein	0.0193	0.3339	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0051	0.0687	0.0885
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0358	0.0765
Trypanosoma cruzi	PAB1-binding protein , putative	0.0083	0.1288	1
Echinococcus multilocularis	lamin dm0	0.006	0.0871	0.0827
Trichomonas vaginalis	set domain proteins, putative	0.0265	0.4678	1
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0474	0.3353
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0027	0.0243	0.0519
Brugia malayi	Pre-SET motif family protein	0.0233	0.4081	0.6623
Loa Loa (eye worm)	hypothetical protein	0.006	0.0871	0.1351
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0749	0.1151
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0255	0.0545
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0027	0.0243	0.1469
Leishmania major	protein kinase, putative	0.0027	0.0243	0.1469
Entamoeba histolytica	transcription factor BTF3, putative	0.0039	0.0474	0.0152
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0474	0.1026
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0051	0.0687	0.5095
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0412	0.0597
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0243	0.0519
Loa Loa (eye worm)	cytochrome P450 family protein	0.0073	0.1106	0.1737
Schistosoma mansoni	ceramide glucosyltransferase	0.0288	0.5097	0.5073
Echinococcus multilocularis	expressed protein	0.0038	0.0446	0.04
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0697	0.1066
Schistosoma mansoni	ceramide glucosyltransferase	0.0288	0.5097	0.5073
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0697	0.0652
Mycobacterium ulcerans	putative regulatory protein	0.0076	0.1158	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.1017	0.7787
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0027	0.0243	0.1469
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0474	0.1013
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0051	0.0687	0.5095
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.0687	0.1049
Onchocerca volvulus		0.0054	0.0749	0.1388
Onchocerca volvulus		0.006	0.0871	0.163
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0037	0.0439	0.0392
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0412	0.0366
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0288	0.5097	0.8291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0495	0.1058
Plasmodium vivax	ataxin-2 like protein, putative	0.0083	0.1288	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0017	0.0063	0.0024
Leishmania major	protein kinase, putative	0.0027	0.0243	0.1469
Schistosoma mansoni	hypothetical protein	0.0193	0.3339	0.3307
Trypanosoma cruzi	target of rapamycin kinase 3	0.004	0.0496	0.3533
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.1017	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0028	0.027	0.0363
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0083	0.1287	0.1245
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0474	0.0698
Onchocerca volvulus		0.0032	0.0344	0.0586
Echinococcus multilocularis	ceramide glucosyltransferase	0.0288	0.5097	0.5073
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0027	0.0243	0.0519
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0027	0.0243	0.1469
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.1017	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0243	0.0519
Echinococcus multilocularis	lamin	0.006	0.0871	0.0827
Toxoplasma gondii	peptidylprolyl isomerase	0.0037	0.043	0.0539
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0027	0.0243	0.0195
Echinococcus multilocularis	Ankyrin	0.0016	0.0051	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0051	0.0687	0.0642
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0037	0.043	0.2992
Schistosoma mansoni	lamin	0.006	0.0871	0.0827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0687	0.1469
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0412	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0687	0.1469
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0474	0.1013
Schistosoma mansoni	hypothetical protein	0.0116	0.1902	0.1863
Trichomonas vaginalis	rotamase, putative	0.0037	0.043	0.0918
Schistosoma mansoni	hypothetical protein	0.0036	0.0412	0.0366
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.1183	0.1863
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0027	0.0243	0.0195
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0029	0.029	0.0243
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.1017	0.0973
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0254	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0028	0.027	0.0363
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6137	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.1017	0.0973
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0412	0.0366
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0038	0.0446	0.0653
Trypanosoma brucei	PAB1-binding protein , putative	0.0083	0.1288	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0381	0.0334
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0381	0.0334
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.1847	0.2954
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0051	0.0687	0.5095
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0063	0.0135
Echinococcus granulosus	intermediate filament protein	0.006	0.0871	0.0827
Entamoeba histolytica	hypothetical protein	0.0193	0.3339	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0063	0.0135
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0051	0.0687	0.0642
Onchocerca volvulus		0.006	0.0871	0.163
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0027	0.0243	0.1469
Onchocerca volvulus		0.0266	0.468	0.9175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0254	0.0544
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0027	0.0243	0.1469
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0016	0.0048	0.000000043585
Brugia malayi	Cytochrome P450 family protein	0.0073	0.1106	0.1737
Schistosoma mansoni	cpg binding protein	0.0034	0.0378	0.0331
Brugia malayi	intermediate filament protein	0.006	0.0871	0.1351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Schistosoma mansoni	aryl hydrocarbon receptor	0.0103	0.1653	0.1612
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0027	0.0243	0.5
Schistosoma mansoni	transcription factor btf3	0.0039	0.0474	0.0427
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0016	0.0051	0.0003
Onchocerca volvulus		0.0027	0.0243	0.0385
Schistosoma mansoni	rotamase	0.0038	0.0446	0.04
Echinococcus multilocularis	geminin	0.0552	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0412	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1847	0.2954
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0027	0.0243	0.1469
Toxoplasma gondii	LsmAD domain-containing protein	0.0083	0.1288	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0439	0.0392
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0051	0.0687	0.5095
Leishmania major	hypothetical protein, conserved	0.0083	0.1288	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Schistosoma mansoni	hypothetical protein	0.0552	1	1
Echinococcus granulosus	GPCR family 2	0.0036	0.0412	0.0366
Echinococcus granulosus	ceramide glucosyltransferase	0.0288	0.5097	0.5073
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0446	0.0954
Brugia malayi	Pre-SET motif family protein	0.0034	0.0381	0.0546
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0027	0.0243	0.1469
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0029	0.029	0.0243
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0193	0.3339	0.3307
Brugia malayi	Intermediate filament tail domain containing protein	0.006	0.0871	0.1351
Entamoeba histolytica	hypothetical protein	0.0039	0.0474	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.1017	0.7012
Echinococcus granulosus	lamin dm0	0.006	0.0871	0.0827
Schistosoma mansoni	intermediate filament proteins	0.006	0.0871	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4656	0.7568
Entamoeba histolytica	hypothetical protein	0.0193	0.3339	1
Echinococcus granulosus	cpg binding protein	0.0034	0.0378	0.0331
Brugia malayi	bHLH-PAS transcription factor	0.0076	0.1158	0.1821
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0037	0.043	0.2992
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0474	0.1026
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0474	0.3353
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0697	0.1066
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0027	0.0243	0.0319
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0495	0.1058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0447	0.0955
Echinococcus granulosus	single minded 2	0.0076	0.1158	0.1114
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0017	0.0063	0.0015
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0378	0.0808
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0344	0.0486
Brugia malayi	hypothetical protein	0.0083	0.1288	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1288	0.2036
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0697	0.0652
Brugia malayi	hypothetical protein	0.0344	0.6137	1
Schistosoma mansoni	ankyrin 23/unc44	0.0016	0.0048	0.000000043585
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0027	0.0243	0.0195
Schistosoma mansoni	hypothetical protein	0.0552	1	1
Echinococcus multilocularis	transfer RNA-Lys	0.0076	0.1158	0.1114
Brugia malayi	beta-NAC-like protein	0.0039	0.0474	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0851	0.1318
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0038	0.0447	0.0726
Brugia malayi	hypothetical protein	0.0193	0.3339	0.5405
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0083	0.1287	0.1245
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0697	0.0652
Echinococcus multilocularis	musashi	0.006	0.0871	0.0827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0063	0.0135
Trichomonas vaginalis	guanylate cyclase, putative	0.0027	0.0243	0.0519
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0381	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0051	0.0004
Brugia malayi	PAS domain containing protein	0.0103	0.1653	0.2634
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0032	0.035	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0029	0.029	0.0397
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0027	0.0243	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1183	0.1863
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0381	0.0334
Trichomonas vaginalis	adenylate cyclase, putative	0.0027	0.0243	0.0519
Onchocerca volvulus		0.0076	0.1158	0.2197
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0495	0.1058
Leishmania major	basic transcription factor 3a, putative	0.0039	0.0474	0.3353
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0051	0.0687	0.0885
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0024	0.0192	0.1054
Schistosoma mansoni	hypothetical protein	0.0077	0.1183	0.114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0063	0.0135
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0288	0.5097	1
Schistosoma mansoni	cpg binding protein	0.0034	0.0378	0.0331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0304	0.0649
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.1847	0.2954
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0017	0.0063	0.0024
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0233	0.4081	0.6623
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0243	0.0519
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0687	0.1469
Brugia malayi	Uncoordinated protein 44	0.0016	0.0048	0.000000071234
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0304	0.0649
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0412	0.0366
Schistosoma mansoni	hypothetical protein	0.0036	0.0412	0.0366
Trypanosoma cruzi	PAB1-binding protein , putative	0.0083	0.1288	1
Trichomonas vaginalis	rotamase, putative	0.0038	0.0446	0.0954
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0063	0.0135
Schistosoma mansoni	hypothetical protein	0.0036	0.0412	0.0366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0254	0.0544
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0697	0.0652
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0037	0.043	0.2992
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.006	0.0871	0.1351
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.004	0.0496	0.3533
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0017	0.0063	0.0015
Echinococcus granulosus	Ankyrin	0.0016	0.0051	0.0003
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0474	0.3353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0255	0.0545
Echinococcus granulosus	survival motor neuron protein 1	0.0264	0.4656	0.463
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0344	0.0486
Schistosoma mansoni	hypothetical protein	0.0036	0.0412	0.0366
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0037	0.043	0.2992
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0243	0.0319

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4 nM	Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy	ChEMBL.	21974949
IC50 (binding)	= 5 nM	Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction	ChEMBL.	21974949
IC50 (ADMET)	> 20000 nM	Inhibition of CYP3A4 in human liver microsomes assessed as inhibition of oxidative metabolism of testosterone after 45 mins by MS analysis in the presence of 1 mmol NADPH	ChEMBL.	21974949

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: CHEMBL1911829

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1563621