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

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1563621