TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.448 | Formula: C20H19N3O3S
H donors: 2 H acceptors: 3 LogP: 3.66 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(/C=N/NC(=O)CSc2cccc3c2nccc3)ccc1O
InChi: 1S/C20H19N3O3S/c1-2-26-17-11-14(8-9-16(17)24)12-22-23-19(25)13-27-18-7-3-5-15-6-4-10-21-20(15)18/h3-12,24H,2,13H2,1H3,(H,23,25)/b22-12+
InChiKey: GBIKYAYDJORKEC-WSDLNYQXSA-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
Simian virus 40	Large T antigen	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	snurportin 1		No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	karyopherin (importin) beta 1		No references
Homo sapiens	RAN, member RAS oncogene family		No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	Importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_131808	All targets in OG5_131808
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	DnaJ domain-containing protein	Get druggable targets OG5_132364	All targets in OG5_132364
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	dnaJ subfamily C 6	Get druggable targets OG5_132364	All targets in OG5_132364
Babesia bovis	importin beta subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma cruzi	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	importin beta-1	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Brugia malayi	RNA, U transporter 1	Get druggable targets OG5_131808	All targets in OG5_131808
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Cryptosporidium hominis	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania major	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Importin subunit beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus granulosus	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Babesia bovis	GTP-binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium knowlesi	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Neospora caninum	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	dnaJ subfamily C 6	Get druggable targets OG5_132364	All targets in OG5_132364
Trichomonas vaginalis	importin beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Cryptosporidium hominis	importin-beta2	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Snurportin-1, putative	Get druggable targets OG5_131808	All targets in OG5_131808
Leishmania mexicana	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Toxoplasma gondii	HEAT repeat-containing protein	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Entamoeba histolytica	Ran family GTPase	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania donovani	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium berghei	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Neospora caninum	GTP-binding nuclear protein Ran, related	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Theileria parva	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei gambiense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Plasmodium berghei	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium falciparum	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania braziliensis	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Leishmania infantum	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Plasmodium yoelii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	Get druggable targets OG5_131808	All targets in OG5_131808
Plasmodium yoelii	importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium vivax	importin-beta 2, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium parvum	importin/karyopherin	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K07936 GTP-binding nuclear protein Ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma congolense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	Importin subunit beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium knowlesi	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	expressed protein	Get druggable targets OG5_132364	All targets in OG5_132364
Leishmania infantum	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei gambiense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_132364	All targets in OG5_132364
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma congolense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K09536 DnaJ homolog, subfamily C, member 16, putative	Get druggable targets OG5_132364	All targets in OG5_132364
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	protein kinase inhibitor, putative	Get druggable targets OG5_132364	All targets in OG5_132364
Leishmania donovani	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	DnaJ domain containing protein	Get druggable targets OG5_132364	All targets in OG5_132364
Theileria parva	GTP-binding nuclear protein ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania mexicana	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania braziliensis	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania major	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Cryptosporidium parvum	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	acetylcholinesterase	0.0725	0.8634	0.863
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0123	0.1027	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0178	0.0147
Loa Loa (eye worm)	carboxylesterase	0.0123	0.1027	0.119
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.024	0.0278
Brugia malayi	Carboxylesterase family protein	0.0725	0.8634	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.024	0.0278
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0069	0.0348	0.5
Mycobacterium ulcerans	glutaminase	0.033	0.3648	1
Schistosoma mansoni	hypothetical protein	0.0205	0.2064	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Brugia malayi	Carboxylesterase family protein	0.0123	0.1027	0.119
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0123	0.1027	0.0999
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0069	0.0348	0.0318
Brugia malayi	Carboxylesterase family protein	0.0123	0.1027	0.119
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.024	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Schistosoma mansoni	gliotactin	0.0123	0.1027	0.1027
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.057	0.6676	0.6665
Echinococcus granulosus	acetylcholinesterase	0.0725	0.8634	0.863
Brugia malayi	hypothetical protein	0.0123	0.1027	0.119
Brugia malayi	amidase	0.057	0.6676	0.7731
Loa Loa (eye worm)	glutaminase	0.033	0.3648	0.4224
Trypanosoma cruzi	amidase, putative	0.0069	0.0348	1
Onchocerca volvulus		0.0123	0.1027	1
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0069	0.0348	1
Echinococcus granulosus	BC026374 protein S09 family	0.0123	0.1027	0.0999
Echinococcus multilocularis	neuroligin	0.0123	0.1027	0.0999
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0178	0.0206
Loa Loa (eye worm)	amidase	0.0069	0.0348	0.0403
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0725	0.8634	0.8634
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.1964	0.2275
Trichomonas vaginalis	glutaminase, putative	0.033	0.3648	1
Echinococcus multilocularis	snurportin 1	0.0372	0.4173	0.4154
Trichomonas vaginalis	spcc417.12 protein, putative	0.0123	0.1027	0.2753
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0069	0.0348	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.057	0.6676	0.6665
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0069	0.0348	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0123	0.1027	0.0999
Schistosoma mansoni	fatty-acid amide hydrolase	0.0069	0.0348	0.0348
Echinococcus granulosus	dnaJ subfamily C 6	0.0074	0.0414	0.0384
Schistosoma mansoni	fatty-acid amide hydrolase	0.057	0.6676	0.6676
Brugia malayi	RNA, U transporter 1	0.0099	0.073	0.0846
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0032	0.0037
Brugia malayi	putative amidase	0.0069	0.0348	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0725	0.8634	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0178	0.0178
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0123	0.1027	0.2753
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0178	0.0147
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0069	0.0348	0.0318
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0123	0.1027	0.0999
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0032	0.5
Loa Loa (eye worm)	hypothetical protein	0.057	0.6676	0.7731
Trypanosoma cruzi	amidase, putative	0.0069	0.0348	1
Loa Loa (eye worm)	hypothetical protein	0.0725	0.8634	1
Brugia malayi	Carboxylesterase family protein	0.0725	0.8634	1
Brugia malayi	DnaJ domain containing protein	0.0074	0.0414	0.048
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.1964	0.1939
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Echinococcus multilocularis	dnaJ subfamily C 6	0.0074	0.0414	0.0384
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0032	0.0037
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0069	0.0348	0.0318
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.4173	0.4833
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0069	0.0348	0.0318
Loa Loa (eye worm)	carboxylesterase	0.0123	0.1027	0.119
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0178	0.0147
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1964	0.1939
Echinococcus granulosus	neuroligin	0.0123	0.1027	0.0999
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0123	0.1027	1
Schistosoma mansoni	hypothetical protein	0.0074	0.0414	0.0414
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0069	0.0348	0.5
Schistosoma mansoni	glutaminase	0.033	0.3648	0.3648
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0178	0.0178
Brugia malayi	Carboxylesterase family protein	0.0123	0.1027	0.119
Onchocerca volvulus		0.0123	0.1027	1
Echinococcus granulosus	carboxylesterase 5A	0.0725	0.8634	0.863
Loa Loa (eye worm)	amidase	0.0069	0.0348	0.0403
Echinococcus granulosus	para nitrobenzyl esterase	0.0123	0.1027	0.0999
Echinococcus granulosus	geminin	0.0205	0.2064	0.2038
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0123	0.1027	0.1027
Schistosoma mansoni	acetylcholinesterase	0.0123	0.1027	0.1027
Brugia malayi	glutaminase DH11.1	0.033	0.3648	0.4224
Schistosoma mansoni	amidase	0.057	0.6676	0.6676
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0178	0.0147
Echinococcus multilocularis	acetylcholinesterase	0.0725	0.8634	0.863
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0123	0.1027	0.1027
Schistosoma mansoni	BC026374 protein (S09 family)	0.0123	0.1027	0.1027
Loa Loa (eye worm)	acetylcholinesterase 1	0.0725	0.8634	1
Onchocerca volvulus		0.0123	0.1027	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0123	0.1027	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0032	0.5
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0069	0.0348	0.5
Echinococcus multilocularis	geminin	0.0205	0.2064	0.2038
Echinococcus multilocularis	carboxylesterase 5A	0.0725	0.8634	0.863
Echinococcus multilocularis	para nitrobenzyl esterase	0.0123	0.1027	0.0999
Mycobacterium ulcerans	carboxylesterase, LipT	0.0123	0.1027	0.2058
Loa Loa (eye worm)	hypothetical protein	0.006	0.024	0.0278
Echinococcus granulosus	fatty acid amide hydrolase 1	0.057	0.6676	0.6665
Schistosoma mansoni	hypothetical protein	0.0205	0.2064	0.2064
Brugia malayi	Amidase family protein	0.0069	0.0348	0.0403
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.057	0.6676	0.6665
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0123	0.1027	1
Onchocerca volvulus		0.0123	0.1027	1
Brugia malayi	Carboxylesterase family protein	0.0123	0.1027	0.119
Schistosoma mansoni	hypothetical protein	0.0372	0.4173	0.4173
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1027	0.119
Leishmania major	hypothetical protein, conserved	0.0069	0.0348	1
Loa Loa (eye worm)	glutaminase 2	0.033	0.3648	0.4224
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0123	0.1027	0.1027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0178	0.0178
Echinococcus granulosus	snurportin 1	0.0372	0.4173	0.4154
Onchocerca volvulus		0.0123	0.1027	1
Echinococcus multilocularis	acetylcholinesterase	0.0725	0.8634	0.863
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0074	0.0414	0.048
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0032	0.5
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1964	0.1939
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0074	0.0414	0.1058
Loa Loa (eye worm)	carboxylesterase	0.0725	0.8634	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.1964	0.2275
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0178	0.0206
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1618	0.1618
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0069	0.0348	0.5
Brugia malayi	Amidase family protein	0.0069	0.0348	0.0403
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0069	0.0348	0.5
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1618	0.1618
Schistosoma mansoni	alpha glucosidase	0.0044	0.0032	0.0032
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0069	0.0348	0.0348

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	7.45 uM	PUBCHEM_BIOASSAY: Identification of SV40 T antigen inhibitors: A route to novel anti-viral reagents. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1909, AID2102, AID2501, AID2615, AID2775, AID449729, AID485276, AID485288]	ChEMBL.	No reference
IC50 (functional)	34.16 uM	PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL3193588

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1855531