TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.428 | Formula: C21H26Cl2N4O2S
H donors: 3 H acceptors: 2 LogP: 4.81 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)Cl)C.Cl
InChi: 1S/C21H25ClN4O2S.ClH/c1-26(2)14-4-3-5-19(27)23-17-10-12-18(13-11-17)24-21(29)25-20(28)15-6-8-16(22)9-7-15;/h6-13H,3-5,14H2,1-2H3,(H,23,27)(H2,24,25,28,29);1H
InChiKey: VOFNKNXMLUJHDR-UHFFFAOYSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	nuclear hormone receptor	0.1028	0.4369	0.4365
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Schistosoma mansoni	protein kinase	0.0029	0.0074	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0543	0.2284	0.5229
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0018	0.0024
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0152	0.0604	0.5495
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0029	0.0074	0.0404
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0485	0.2034	0.4648
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0033	0.0092	0.0779
Brugia malayi	Steroid receptor seven-up type 2	0.1028	0.4369	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1028	0.4369	0.4365
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0096	0.0203
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0033	0.0092	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0028	0.0072	0.0065
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0028	0.0072	0.0148
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0029	0.0076	0.8107
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0485	0.2034	0.4648
Plasmodium falciparum	protein kinase 6	0.04	0.1668	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0072	0.0164
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1028	0.4369	1
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Schistosoma mansoni	hypothetical protein	0.0016	0.0018	0.001
Brugia malayi	Cam kinase protein 1	0.0029	0.0074	0.0154
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1028	0.4369	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0033	0.0092	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1028	0.4369	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1028	0.4369	1
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0018	0.0029	0.0641
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0029	0.0074	0.0404
Loa Loa (eye worm)	sugar transporter	0.0094	0.0355	0.0813
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1028	0.4369	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0485	0.2034	0.4648
Schistosoma mansoni	hypothetical protein	0.0094	0.0355	0.0348
Echinococcus multilocularis	lysyl tRNA synthetase	0.0021	0.0041	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1028	0.4369	1
Plasmodium vivax	lysine--tRNA ligase, putative	0.0021	0.0041	0.0201
Schistosoma mansoni	RAR-like nuclear receptor	0.1028	0.4369	0.4365
Schistosoma mansoni	hypothetical protein	0.0016	0.0018	0.001
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0021	0.0041	1
Trichomonas vaginalis	glucose transporter, putative	0.0029	0.0076	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0543	0.2284	0.5229
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1028	0.4369	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0018	0.0024
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1028	0.4369	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0029	0.0076	0.8107
Brugia malayi	nuclear receptor NHR-67	0.0485	0.2034	0.4648
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0029	0.0074	0.0617
Brugia malayi	nuclear hormone receptor family member odr-7	0.0485	0.2034	0.4648
Plasmodium falciparum	protein kinase 7	0.0266	0.1094	0.6542
Echinococcus granulosus	thyroid hormone receptor alpha	0.0485	0.2034	0.4648
Plasmodium falciparum	proline--tRNA ligase	0.0033	0.0092	0.051
Trichomonas vaginalis	glucose transporter, putative	0.0029	0.0076	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Loa Loa (eye worm)	sugar transporter	0.0013	0.0007	0.0016
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0028	0.0072	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1028	0.4369	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0029	0.0074	0.0617
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1028	0.4369	1
Trypanosoma brucei	glucose transporter 2A	0.0029	0.0076	0.8107
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0018	0.0024
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0485	0.2034	0.4648
Loa Loa (eye worm)	DR-78	0.0485	0.2034	0.4657
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0076	0.1973
Brugia malayi	photoreceptor-specific nuclear receptor	0.1028	0.4369	1
Schistosoma mansoni	zinc finger protein	0.0485	0.2034	0.2029
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0029	0.0074	0.0404
Loa Loa (eye worm)	steroid hormone receptor	0.1028	0.4369	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Echinococcus multilocularis	ecdysone induced protein 78C	0.1028	0.4369	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0543	0.2284	0.5221
Schistosoma mansoni	hypothetical protein	0.0016	0.0018	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1028	0.4369	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Trypanosoma cruzi	hexose transporter, putative	0.0029	0.0076	0.8107
Brugia malayi	hypothetical protein	0.0485	0.2034	0.4648
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0104	0.0097
Onchocerca volvulus	Bile acid receptor homolog	0.1028	0.4369	1
Echinococcus granulosus	FTZ F1 alpha	0.1028	0.4369	1
Trypanosoma cruzi	hexose transporter, putative	0.0016	0.0019	0.1383
Leishmania major	glucose transporter, lmgt1	0.0029	0.0076	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0029	0.0074	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Loa Loa (eye worm)	transcription factor SMAD2	0.0108	0.0413	0.0944
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0028	0.0072	0.0148
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Schistosoma mansoni	hypothetical protein	0.0016	0.0018	0.001
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0018	0.0027	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Echinococcus multilocularis	FTZ F1 alpha	0.1028	0.4369	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1028	0.4369	1
Onchocerca volvulus		0.0485	0.2034	0.4648
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0074	0.017
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Schistosoma mansoni	nuclear receptor	0.0485	0.2034	0.2029
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0021	0.0041	0.395
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0028	0.0072	0.0148
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0028	0.0072	0.0148
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Entamoeba histolytica	protein kinase, putative	0.0029	0.0074	0.5307
Onchocerca volvulus	Protein ultraspiracle homolog	0.1028	0.4369	1
Leishmania major	protein kinase, putative	0.0029	0.0074	0.7919
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1028	0.4369	1
Brugia malayi	hypothetical protein	0.0543	0.2284	0.5221
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0021	0.0041	0.3046
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0096	0.0219
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0485	0.2034	0.4648
Schistosoma mansoni	lysyl-tRNA synthetase	0.0021	0.0041	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0018	0.004
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0104	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0029	0.0074	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Loa Loa (eye worm)	MH2 domain-containing protein	0.0108	0.0413	0.0944
Brugia malayi	MH2 domain containing protein	0.0108	0.0413	0.093
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Loa Loa (eye worm)	hypothetical protein	0.0543	0.2284	0.5229
Chlamydia trachomatis	lysine--tRNA ligase	0.0021	0.0041	0.5
Schistosoma mansoni	protein kinase	0.0029	0.0074	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0485	0.2034	0.4648
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0013	0.0007	0.0016
Brugia malayi	nuclear hormone receptor	0.0485	0.2034	0.4648
Echinococcus multilocularis	nuclear receptor nhr 48	0.0485	0.2034	0.4648
Trypanosoma cruzi	hexose transporter, putative	0.0029	0.0076	0.8107
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0485	0.2034	0.4648
Echinococcus multilocularis	General substrate transporter	0.0081	0.0298	0.0667
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1028	0.4369	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0041	0.0093
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0543	0.2284	0.2279
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0029	0.0074	0.017
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1028	0.4369	1
Brugia malayi	tailless protein	0.0485	0.2034	0.4648
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0033	0.0092	1
Brugia malayi	Nuclear hormone receptor-like 1	0.1028	0.4369	1
Echinococcus multilocularis	microtubule associated protein 2	0.0622	0.2623	0.5998
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0029	0.0074	0.7919
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0018	0.0024
Schistosoma mansoni	hypothetical protein	0.0034	0.0096	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Brugia malayi	nuclear hormone receptor	0.1028	0.4369	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1028	0.4369	1
Schistosoma mansoni	retinoic acid receptor RXR	0.1028	0.4369	0.4365
Plasmodium vivax	proline--tRNA ligase, putative	0.0033	0.0092	0.051
Brugia malayi	Nuclear hormone receptor-like 1	0.0543	0.2284	0.5221
Toxoplasma gondii	facilitative glucose transporter GT1	0.0094	0.0355	0.3201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1028	0.4369	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0029	0.0074	0.0154
Schistosoma mansoni	serine/threonine protein kinase	0.0029	0.0074	0.0067
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0152	0.0604	0.3595
Leishmania major	lysyl-tRNA synthetase, putative	0.0021	0.0041	0.395
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Echinococcus granulosus	nuclear receptor nhr 48	0.0485	0.2034	0.4648
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0485	0.2034	0.4648
Onchocerca volvulus		0.0485	0.2034	0.4648
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Brugia malayi	nuclear receptor RXR	0.0485	0.2034	0.4648
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1028	0.4369	0.4365
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0018	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0543	0.2284	0.5229
Brugia malayi	nuclear receptor RXR	0.0543	0.2284	0.5221
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0028	0.0072	0.0065
Onchocerca volvulus		0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0049	0.0112
Schistosoma mansoni	nuclear receptor nhr-48	0.0485	0.2034	0.2029
Echinococcus granulosus	calcium dependent protein kinase	0.0027	0.0066	0.0136
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0543	0.2284	0.2279
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0029	0.0074	0.0404
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0485	0.2034	0.4657
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Schistosoma mansoni	thyroid hormone receptor	0.1028	0.4369	0.4365
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0485	0.2034	0.4648
Schistosoma mansoni	coup transcription factor	0.1028	0.4369	0.4365
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1028	0.4369	1
Schistosoma mansoni	glucose transport protein	0.0094	0.0355	0.0348
Brugia malayi	conserved hypotetical protein	0.0485	0.2034	0.4648
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Schistosoma mansoni	glucose transport protein	0.0094	0.0355	0.0348
Loa Loa (eye worm)	hypothetical protein	0.005	0.0163	0.0373
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1028	0.4369	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0485	0.2034	0.2029
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0163	0.0358
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0041	0.0961
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0094	0.0355	0.0798
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0163	0.0373
Brugia malayi	hypothetical protein	0.0036	0.0104	0.0222
Echinococcus granulosus	General substrate transporter	0.0081	0.0298	0.0667
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1028	0.4369	0.4365
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1028	0.4369	0.4365
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Schistosoma mansoni	hypothetical protein	0.0036	0.0104	0.0097
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0028	0.0072	0.1855
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0029	0.0074	0.017
Echinococcus granulosus	GPCR family 2	0.0016	0.0018	0.0024
Schistosoma mansoni	microtubule-associated protein tau	0.0622	0.2623	0.2618
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1028	0.4369	1
Toxoplasma gondii	lysine-tRNA ligase	0.0021	0.0041	0.0308
Brugia malayi	nuclear receptor NHR-88	0.0485	0.2034	0.4648
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0018	0.0024
Schistosoma mansoni	glucose transport protein	0.0094	0.0355	0.0348
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0076	0.1973
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0485	0.2034	0.4657
Giardia lamblia	Lysyl-tRNA synthetase	0.0021	0.0041	0.5182
Trypanosoma cruzi	hexose transporter, putative	0.0029	0.0076	0.8107
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0029	0.0074	0.0617
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0033	0.0092	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1028	0.4369	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0021	0.0041	0.0033
Brugia malayi	ecdysone receptor	0.0485	0.2034	0.4648
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1028	0.4369	0.4365
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0485	0.2034	0.4648
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0013	0.0007	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1028	0.4369	1
Schistosoma mansoni	protein kinase	0.0029	0.0074	0.0067
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0485	0.2034	0.4648
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0029	0.0074	0.0404
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0013	0.0007	0.0016
Entamoeba histolytica	protein kinase, putative	0.0029	0.0074	0.5307
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Plasmodium falciparum	lysine--tRNA ligase	0.0021	0.0041	0.0201
Brugia malayi	hypothetical protein	0.0485	0.2034	0.4648
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0021	0.0041	1
Schistosoma mansoni	nuclear hormone receptor	0.0485	0.2034	0.2029
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0104	0.0222
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0018	0.004
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Echinococcus granulosus	lysyl tRNA synthetase	0.0021	0.0041	0.0077
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Toxoplasma gondii	protein kinase, putative	0.0266	0.1094	1
Brugia malayi	ecdysteroid receptor	0.1028	0.4369	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0029	0.0074	0.0404
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1028	0.4369	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1028	0.4369	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1028	0.4369	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0028	0.0072	0.491
Echinococcus multilocularis	calcium dependent protein kinase	0.0027	0.0066	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Plasmodium vivax	hexose transporter	0.0094	0.0355	0.2094
Leishmania major	glucose transporter, lmgt3	0.0029	0.0076	0.8107
Brugia malayi	Nuclear hormone receptor E75	0.0485	0.2034	0.4648
Schistosoma mansoni	nuclear receptor	0.0485	0.2034	0.2029
Brugia malayi	nuclear receptor NHR-88	0.1028	0.4369	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0029	0.0074	0.0154
Plasmodium vivax	CDK-related protein kinase 6, putative	0.04	0.1668	1
Leishmania major	glucose transporter, lmgt2	0.0029	0.0076	0.8107
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1028	0.4369	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0485	0.2034	0.4648
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0029	0.0074	0.0154
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Schistosoma mansoni	thyroid hormone receptor	0.1028	0.4369	0.4365
Giardia lamblia	Prolyl-tRNA synthetase	0.0028	0.0072	1
Plasmodium falciparum	hexose transporter	0.0094	0.0355	0.2094
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1028	0.4369	1
Echinococcus granulosus	microtubule associated protein 2	0.0622	0.2623	0.5998
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0029	0.0076	0.8107
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.0355	1
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0076	0.1973
Brugia malayi	hypothetical protein	0.0543	0.2284	0.5221
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0018	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0543	0.2284	0.5229
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0076	0.1973
Brugia malayi	steroid hormone receptor	0.1028	0.4369	1
Trypanosoma cruzi	hexose transporter	0.0029	0.0076	0.8107
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1028	0.4369	1
Echinococcus granulosus	ecdysone induced protein 78C	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0072	0.0164
Loa Loa (eye worm)	nuclear hormone receptor	0.0485	0.2034	0.4657
Brugia malayi	Nuclear hormone receptor-like 1	0.0543	0.2284	0.5221
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0076	0.1973
Trypanosoma brucei	glucose transporter, putative	0.0029	0.0076	0.8107
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0021	0.0041	0.395
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1028	0.4369	0.4365
Loa Loa (eye worm)	hypothetical protein	0.0485	0.2034	0.4657
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0094	0.0355	0.0798
Loa Loa (eye worm)	hypothetical protein	0.1028	0.4369	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Trypanosoma brucei	glucose transporter 1E	0.0029	0.0076	0.8107
Brugia malayi	Sugar transporter family protein	0.0094	0.0355	0.0798
Brugia malayi	lysyl-tRNA synthetase	0.0021	0.0041	0.0077
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0543	0.2284	0.5221
Brugia malayi	orphan nuclear receptor NR2E1	0.0485	0.2034	0.4648
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0163	0.0358
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0029	0.0074	0.0404
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0033	0.0092	1
Schistosoma mansoni	nuclear hormone receptor	0.0485	0.2034	0.2029
Loa Loa (eye worm)	hypothetical protein	0.0543	0.2284	0.5229
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0016
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0152	0.0604	0.3595
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0029	0.0076	0.8107
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1028	0.4369	0.4365
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0018	0.0027	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0485	0.2034	0.4648
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1028	0.4369	1
Brugia malayi	Nuclear hormone receptor E75	0.0485	0.2034	0.4648
Trichomonas vaginalis	CAMK family protein kinase	0.0029	0.0074	0.1927

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 90 uM	Inhibition of recombinant human SitT1 by Fluor de Lys fluorescence assay	ChEMBL.	22304848
IC50 (binding)	> 90 uM	Inhibition of recombinant human SitT2 by Fluor de Lys fluorescence assay	ChEMBL.	22304848
Inhibition (binding)	= 53.4 %	Inhibition of recombinant human SitT1 at 60 uM by Fluor de Lys fluorescence assay	ChEMBL.	22304848
Inhibition (binding)	= 61.5 %	Inhibition of recombinant human SitT2 at 60 uM by Fluor de Lys fluorescence assay	ChEMBL.	22304848

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: CHEMBL1945259

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1599473