TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.432 | Formula: C26H28Cl2N4O2
H donors: 2 H acceptors: 2 LogP: 4.19 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)C(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)C1(CC1)c1ccc(cc1Cl)Cl
InChi: 1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)/t23-/m1/s1
InChiKey: WFRXEZYSVYRRFE-HSZRJFAPSA-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
Echinococcus multilocularis	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
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
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
Brugia malayi	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 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
Candida albicans	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
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0011	0.0133
Brugia malayi	P-glycoprotein-like protein	0.0007	0.0006	0.0009
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0007	0.0011	0.0133
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0373	0.0368
Brugia malayi	hypothetical protein	0.0007	0.0006	0.0009
Schistosoma mansoni	hypothetical protein	0.018	0.4048	0.4048
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Toxoplasma gondii	propionate-CoA ligase	0.0007	0.0011	0.0047
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0373	0.0597
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0185	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2284	0.3482
Onchocerca volvulus		0.0031	0.0552	0.0825
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0275	0.6254	0.9535
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0373	0.0368
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0007	0.0011	0.0133
Trichomonas vaginalis	glucosylceramidase, putative	0.019	0.4275	0.6835
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0427	1
Entamoeba histolytica	multidrug resistance protein, putative	0.0007	0.0006	0.0026
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0427	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0.0011	0.0047
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0427	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0427	1
Entamoeba histolytica	P-glycoprotein-1	0.0023	0.0373	0.1634
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0288	0.656	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0011	0.0133
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0011	0.0133
Leishmania major	p-glycoprotein	0.0023	0.0373	0.8717
Echinococcus granulosus	multidrug resistance associated protein 1	0.0007	0.0006	0.0006
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0007	0.0011	0.0133
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0279	0.7421
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0888	0.0888
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0007	0.0011	0.0133
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0023	0.0373	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0007	0.0006	0.0009
Echinococcus multilocularis	Niemann Pick C1 protein	0.0105	0.2284	0.228
Giardia lamblia	Multidrug resistance-associated protein 1	0.0007	0.0006	0.002
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0006	0.0006
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0011	0.0133
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0007	0.0011	0.0133
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0373	0.0597
Schistosoma mansoni	hypothetical protein	0.0043	0.085	0.085
Brugia malayi	ABC transporter family protein	0.0007	0.0006	0.0009
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0011	0.0312
Trichomonas vaginalis	abcb9, putative	0.0023	0.0373	0.0597
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0427	0.0652
Entamoeba histolytica	P-glyco protein 6, putative	0.0023	0.0373	0.1634
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0427	1
Echinococcus multilocularis	cpg binding protein	0.0032	0.0593	0.0587
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0373	0.0373
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0279	0.7421
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0288	0.656	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0368	0.056
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0007	0.0011	0.0017
Schistosoma mansoni	ceramide glucosyltransferase	0.0288	0.656	0.656
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0888	0.142
Schistosoma mansoni	patched 1	0.0045	0.0888	0.0888
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Entamoeba histolytica	P-glycoprotein-2, putative	0.0023	0.0373	0.1634
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0888	0.0888
Schistosoma mansoni	ceramide glucosyltransferase	0.0288	0.656	0.656
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0373	0.0373
Plasmodium falciparum	multidrug resistance protein 1	0.0023	0.0373	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.0185	0.4251
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0427	1
Echinococcus multilocularis	muscleblind protein	0.0159	0.355	0.3546
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.0373	0.0368
Echinococcus granulosus	expressed conserved protein	0.0098	0.2136	0.2136
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0427	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.0888	0.1354
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0152
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0.0011	0.0047
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0007	0.0011	0.0133
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0255	0.5899
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0373	0.0368
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.6254	1
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0007	0.0011	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0011	0.0017
Trichomonas vaginalis	glucosylceramidase, putative	0.019	0.4275	0.6835
Echinococcus granulosus	multidrug resistance associated protein 7	0.0007	0.0006	0.0006
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Schistosoma mansoni	cpg binding protein	0.0032	0.0593	0.0593
Brugia malayi	ABC transporter transmembrane region family protein	0.0007	0.0006	0.0009
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0006	0.0026
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0427	0.1871
Brugia malayi	multidrug resistance related protein 1	0.0007	0.0006	0.0009
Echinococcus granulosus	ceramide glucosyltransferase	0.0288	0.656	0.656
Entamoeba histolytica	P-glycoprotein-2	0.0023	0.0373	0.1634
Leishmania major	cytochrome p450-like protein	0.0015	0.0185	0.4251
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1352	0.1352
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0006	0.0026
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0185	0.0282
Giardia lamblia	Multidrug resistance-associated protein 1	0.0007	0.0006	0.002
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0255	0.5899
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0427	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0007	0.0006	0.0009
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0373	0.0597
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0016	0.001
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0011	0.0017
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0011	0.0011
Entamoeba histolytica	ABC transporter, putative	0.0007	0.0006	0.0026
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0373	0.0597
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0007	0.0006	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0279	0.0425
Echinococcus granulosus	multidrug resistance protein 1	0.0016	0.0212	0.0212
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0059
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Echinococcus granulosus	multidrug resistance protein 1	0.0016	0.0212	0.0212
Schistosoma mansoni	smdr2	0.0023	0.0373	0.0373
Echinococcus granulosus	Niemann Pick C1 protein	0.015	0.3334	0.3334
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0023	0.0373	0.0597
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.6254	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0427	1
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0427	0.1871
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0011	0.0018
Echinococcus multilocularis	geminin	0.018	0.4048	0.4045
Giardia lamblia	MRP-like ABC transporter	0.0007	0.0006	0.002
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0011	0.0017
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0427	0.0652
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0373	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0006	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0085	0.013
Leishmania major	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0133
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0185	0.0282
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0152
Schistosoma mansoni	cellular tumor antigen P53	0.0053	0.1067	0.1067
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0373	0.0597
Onchocerca volvulus		0.0023	0.0373	0.0553
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0373	0.0597
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0011	0.0133
Onchocerca volvulus		0.0053	0.1067	0.1612
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0006	0.0006
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0011	0.0017
Giardia lamblia	Ceramide glucosyltransferase	0.0131	0.2885	1
Trichomonas vaginalis	abcb9, putative	0.0023	0.0373	0.0597
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0007	0.0011	0.0133
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0427	0.0652
Brugia malayi	ABC transporter	0.0007	0.0006	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0279	0.0425
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0006	0.0006
Echinococcus granulosus	muscleblind protein	0.0159	0.355	0.355
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0185	0.0282
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1067	0.1627
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0006	0.0009
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0255	0.5899
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0185	1
Echinococcus multilocularis	expressed conserved protein	0.0098	0.2136	0.2131
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0106	0.2322	0.2322
Echinococcus multilocularis	tumor protein p63	0.036	0.8233	0.8232
Onchocerca volvulus		0.0025	0.0427	0.0635
Echinococcus granulosus	ATP binding cassette sub family B	0.0007	0.0006	0.0006
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0011	0.0133
Echinococcus multilocularis	dnaJ subfamily B	0.0436	1	1
Echinococcus multilocularis	protein dispatched 1	0.0051	0.1036	0.1031
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0373	0.0368
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0006	0.0026
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0427	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0373	0.0373
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0373	0.0373
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.0373	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0373	0.0569
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0373	0.0597
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0007	0.0011	0.0017
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0373	0.0373
Brugia malayi	ABC transporter family protein	0.0007	0.0006	0.0009
Brugia malayi	CHE-14 protein	0.0045	0.0888	0.1354
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0011	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0011	0.0017
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0006	0.0006
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0312
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0185	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.6254	1
Loa Loa (eye worm)	ABC transporter	0.0007	0.0006	0.0009
Entamoeba histolytica	P-glycoprotein-2	0.0023	0.0373	0.1634
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0023	0.0373	0.8717
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0312
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0011	0.0017
Echinococcus granulosus	ATP binding cassette sub family B	0.0007	0.0006	0.0006
Entamoeba histolytica	hypothetical protein	0.0007	0.0006	0.0026
Entamoeba histolytica	P-glycoprotein-5	0.0023	0.0373	0.1634
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0023	0.0368	0.0368
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0427	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0023	0.0373	0.0569
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0011	0.0133
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0059	0.009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0279	0.0425
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0279	0.6469
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0011	0.0017
Echinococcus granulosus	Niemann Pick C1 protein	0.0105	0.2284	0.2284
Brugia malayi	ABC transporter family protein	0.0007	0.0006	0.0009
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0373	0.0373
Loa Loa (eye worm)	oxidoreductase	0.0007	0.0011	0.0017
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.6254	1
Giardia lamblia	ABC transporter, putative	0.0007	0.0006	0.002
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0279	0.0425
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0056	0.0086
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0011	0.0312
Brugia malayi	Muscleblind-like protein	0.0159	0.355	0.5411
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0007	0.0006	0.5
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0427	0.1871
Schistosoma mansoni	smdr1	0.0007	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0159	0.355	0.5411
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0427	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0006	0.0009
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0011	0.0018
Onchocerca volvulus	Glucosylceramidase homolog	0.018	0.4048	0.6165
Schistosoma mansoni	cpg binding protein	0.0031	0.0552	0.0552
Entamoeba histolytica	P-glycoprotein 6, putative	0.0007	0.0006	0.0026
Schistosoma mansoni	cpg binding protein	0.0032	0.0593	0.0593
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0427	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0011	0.0312
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.6254	1
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0011	0.0006
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0007	0.0006	0.0009
Echinococcus multilocularis	protein patched	0.0045	0.0888	0.0883
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0279	0.6469
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0552	0.0841
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0016	0.001
Schistosoma mansoni	hypothetical protein	0.0043	0.085	0.085
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0011	0.0133
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0007	0.0011	0.0133
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0007	0.0011	0.005
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0011	0.0011
Loa Loa (eye worm)	ABC transporter	0.0007	0.0006	0.0009
Brugia malayi	Ceramide glucosyltransferase	0.0288	0.656	1
Schistosoma mansoni	hypothetical protein	0.0043	0.085	0.085
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0373	0.0368
Entamoeba histolytica	P-glycoprotein 6, putative	0.0007	0.0006	0.0026
Entamoeba histolytica	P-glycoprotein 5, putative	0.0023	0.0373	0.1634
Loa Loa (eye worm)	multidrug resistance protein 3	0.0023	0.0373	0.0569
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0373	0.0373
Brugia malayi	Niemann-Pick C1 protein precursor	0.0105	0.2284	0.3482
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0255	0.5899
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0185	0.0282
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0552	0.0841
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0023	0.0373	0.8717
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0011	0.0133
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0427	0.0652
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0373	0.0597
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0007	0.0006	0.0006
Plasmodium vivax	multidrug resistance protein 1, putative	0.0023	0.0373	1
Echinococcus granulosus	cpg binding protein	0.0032	0.0593	0.0593
Echinococcus multilocularis	ATP binding cassette sub family B	0.0023	0.0368	0.0362
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0007	0.0011	0.0133
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0373	0.0373
Trichomonas vaginalis	taga, putative	0.0023	0.0373	0.0597
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Brugia malayi	multidrug resistance protein 3	0.0023	0.0373	0.0569
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1124	0.1714
Trichomonas vaginalis	glucosylceramidase, putative	0.018	0.4048	0.6472
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0007	0.0006	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0016	0.0016
Echinococcus multilocularis	Niemann Pick C1 protein	0.015	0.3334	0.333
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0373	0.0569
Loa Loa (eye worm)	ABC transporter	0.0007	0.0006	0.0009
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0275	0.6254	0.9535
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0185	0.0282
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0007	0.0011	0.0133
Schistosoma mansoni	hypothetical protein	0.0043	0.085	0.085
Leishmania major	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0133
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0007	0.0011	0.0312
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0023	0.0373	0.0597
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0016	0.0212	0.0339
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0007	0.0011	0.0133
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0016	0.0016
Echinococcus granulosus	geminin	0.018	0.4048	0.4048
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0427	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0373	0.0597
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0023	0.0373	0.3103
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0888	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0427	0.0652
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0427	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0016	0.0212	0.0206
Schistosoma mansoni	hypothetical protein	0.018	0.4048	0.4048
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.6254	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0888	0.0883
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0105	0.2284	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0011	0.0133
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0023	0.0373	0.3103
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0427	0.0652
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0011	0.0017
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.119	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Echinococcus granulosus	tumor protein p63	0.036	0.8233	0.8233
Brugia malayi	ABC transporter family protein	0.0023	0.0373	0.0569
Echinococcus multilocularis	ceramide glucosyltransferase	0.0288	0.656	0.6558
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0373	0.0597
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0007	0.0006	0.0026
Schistosoma mansoni	multidrug resistance protein	0.0007	0.0006	0.0006
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0011	0.0133
Trichomonas vaginalis	abcb9, putative	0.0023	0.0373	0.0597
Schistosoma mansoni	hypothetical protein	0.0436	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0279	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0159	0.355	0.5411
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0373	0.0373
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.355	0.3546
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0011	0.0133

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 4000 nM	Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis	ChEMBL.	22497444

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: CHEMBL2163819

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1682305