TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 548.622 | Formula: C29H40O10
H donors: 1 H acceptors: 5 LogP: 2.22 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: C/C=C(\C(=O)O[C@@H]1CC[C@@]2([C@]3([C@H]1[C@@](C)(C[C@@H](C1=CC(=O)OC1)O)[C@H](C)C[C@@H]3OC(=O)C)COC(=O)C)CO2)/C
InChi: 1S/C29H40O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h7,11,17,21-23,25,32H,8-10,12-15H2,1-6H3/b16-7-/t17-,21+,22-,23+,25-,27+,28+,29-/m1/s1
InChiKey: HZPBAEMQRBYDPW-ZERDVMLBSA-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
Toxoplasma gondii	subtilisin SUB2	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0264	0.2218	0.3694
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0048	0.0247	0.0308
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Echinococcus granulosus	lysine specific histone demethylase 1A	0.023	0.1903	0.1903
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0038	0.0155	0.0155
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0048	0.0247	0.0247
Plasmodium vivax	subtilisin-like serine protease, putative	0.0048	0.0247	1
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0048	0.0247	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0	0.5
Schistosoma mansoni	hypothetical protein	0.0168	0.134	0.134
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0048	0.0247	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0047	0.0236	0.9573
Brugia malayi	proprotein convertase 2	0.0703	0.6214	0.6214
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0047	0.0236	0.9573
Toxoplasma gondii	subtilisin SUB11	0.0048	0.0247	1
Toxoplasma gondii	subtilisin SUB7	0.0048	0.0247	1
Toxoplasma gondii	subtilisin SUB10	0.0048	0.0247	1
Brugia malayi	RNA binding protein	0.0063	0.0383	0.0383
Schistosoma mansoni	hypothetical protein	0.0035	0.0131	0.0131
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0048	0.0247	0.0247
Loa Loa (eye worm)	endoprotease bli-4	0.1119	1	1
Giardia lamblia	Furin precursor putative serine protease	0.0216	0.1782	0.4954
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.1119	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0131	0.0164
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0131	0.0164
Echinococcus multilocularis		0.0903	0.8029	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0131	0.0131
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0216	0.1782	0.2969
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0131	0.0131
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0383	0.0383
Echinococcus granulosus	neuroendocrine convertase 2	0.0703	0.6214	0.6214
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Plasmodium falciparum	subtilisin-like protease 1	0.0048	0.0247	1
Mycobacterium ulcerans	monoamine oxidase	0.0047	0.0236	0.9573
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Echinococcus granulosus	Furin 1	0.0264	0.2218	0.2218
Plasmodium vivax	subtilisin-like protease 2, putative	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0264	0.2218	0.3694
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0131	0.0131
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Brugia malayi	Subtilase family protein	0.0048	0.0247	0.0247
Schistosoma mansoni	hypothetical protein	0.0168	0.134	0.134
Plasmodium falciparum	protoporphyrinogen oxidase	0.0047	0.0236	0.9573
Plasmodium vivax	hypothetical protein, conserved	0.0047	0.0236	0.9573
Toxoplasma gondii	subtilisin SUB9	0.0048	0.0247	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0247	0.0411
Echinococcus multilocularis	Furin 1	0.0264	0.2218	0.2762
Leishmania major	hypothetical protein, conserved	0.0038	0.0155	0.6292
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0247	0.0411
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0047	0.0236	0.0236
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0264	0.2218	0.3694
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0038	0.0155	0.6292
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.0823	0.0823
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.0503	0.0503
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0264	0.2218	0.3694
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.0823	0.0823
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0264	0.2218	0.3694
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0216	0.1782	0.2969
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0048	0.0247	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0236	0.0236
Toxoplasma gondii	Erv1 / Alr family protein	0.0038	0.0155	0.6292
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0264	0.2218	0.3694
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0127	0.0971	0.0971
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0236	0.0236
Toxoplasma gondii	subtilisin SUB5	0.0048	0.0247	1
Toxoplasma gondii	subtilisin SUB6	0.0048	0.0247	1
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0048	0.0247	1
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0048	0.0247	0.0247
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0038	0.0155	0.0194
Loa Loa (eye worm)	voltage-gated potassium channel	0.0125	0.0952	0.0952
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0047	0.0236	0.9573
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0383	0.0383
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0048	0.0247	1
Loa Loa (eye worm)	hypothetical protein	0.0439	0.3808	0.3808
Echinococcus multilocularis		0.0047	0.0236	0.0294
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0038	0.0155	0.6292
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0047	0.0236	0.9573
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0048	0.0247	1
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0038	0.0155	0.6292
Schistosoma mansoni	hypothetical protein	0.0035	0.0131	0.0131
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0047	0.0236	0.9573
Mycobacterium ulcerans	oxidoreductase	0.0047	0.0236	0.9573
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0131	0.0131
Brugia malayi	hypothetical protein	0.0047	0.0236	0.0236
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0247	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0823	0.0823
Brugia malayi	Augmenter of liver regeneration	0.0038	0.0155	0.0155
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Plasmodium vivax	subtilisin-like protease 1	0.0048	0.0247	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0383	0.0383
Loa Loa (eye worm)	proprotein convertase 2	0.0264	0.2218	0.2218
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0247	0.0247
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0048	0.0247	1
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0216	0.1782	0.2969
Brugia malayi	neuroendocrine convertase 1 precursor	0.0703	0.6214	0.6214
Schistosoma mansoni	memapsin-2 (A01 family)	0.0418	0.3615	0.3615
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1559	0.1559
Brugia malayi	TAR-binding protein	0.0063	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0333	0.0333
Leishmania major	subtilisin-like serine peptidase	0.0048	0.0247	1
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0048	0.0247	0.0247
Onchocerca volvulus		0.0249	0.2079	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0047	0.0236	0.0236
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0047	0.0236	0.9573
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0048	0.0247	0.0247
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0383	0.0477
Echinococcus multilocularis	neuroendocrine convertase 2	0.0703	0.6214	0.7739
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0383	0.0383
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0383	0.0383
Schistosoma mansoni	amine oxidase	0.0047	0.0236	0.0236
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0247	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0333	0.0333
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.068	0.6004	0.7477
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0047	0.0236	0.9573
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0047	0.0236	0.9573
Mycobacterium tuberculosis	Possible oxidoreductase	0.0047	0.0236	0.9573
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0131	0.0131
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0048	0.0247	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0383	0.0383
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.068	0.6004	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.023	0.1903	0.237
Schistosoma mansoni	hypothetical protein	0.0216	0.1782	0.1782
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0413	0.0413
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.0823	0.0823
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0383	0.0383
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0038	0.0155	0.6292
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0047	0.0236	0.9573
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Schistosoma mansoni	hypothetical protein	0.0035	0.0131	0.0131
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Schistosoma mansoni	hypothetical protein	0.0076	0.0503	0.0503
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Brugia malayi	amine oxidase, flavin-containing family protein	0.0066	0.0413	0.0413
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.1119	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0264	0.2218	0.2218
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0247	0.0411
Toxoplasma gondii	subtilisin SUB4	0.0048	0.0247	1
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0048	0.0247	0.0247
Mycobacterium leprae	Possible secreted protease	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Echinococcus granulosus	geminin	0.0168	0.134	0.134
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Leishmania major	UDP-galactopyranose mutase	0.0047	0.0236	0.9573
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0383	0.0383
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0047	0.0236	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0048	0.0247	0.0247
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0047	0.0236	0.9573
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Schistosoma mansoni	amine oxidase	0.0047	0.0236	0.0236
Giardia lamblia	High cysteine membrane protein Group 2	0.0416	0.3597	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0047	0.0236	0.0294
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Toxoplasma gondii	histone lysine-specific demethylase	0.0047	0.0236	0.9573
Loa Loa (eye worm)	hypothetical protein	0.0187	0.151	0.151
Onchocerca volvulus	CoRest homolog	0.0192	0.1559	0.7161
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0048	0.0247	1
Schistosoma mansoni	furin-1 (S08 family)	0.0487	0.4243	0.4243
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0048	0.0247	1
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Trichomonas vaginalis	hypothetical protein	0.0216	0.1782	0.2969
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.023	0.1903	0.1903
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0038	0.0155	0.6292
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	0.023	0.1903	0.1903
Echinococcus granulosus	furin	0.1119	1	1
Loa Loa (eye worm)	hepatopoietin HPO2	0.0038	0.0155	0.0155
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.068	0.6004	1
Toxoplasma gondii	subtilisin SUB1	0.0048	0.0247	1
Echinococcus multilocularis	geminin	0.0168	0.134	0.1669
Toxoplasma gondii	subtilisin SUB12	0.0048	0.0247	1
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Brugia malayi	SWIRM domain containing protein	0.0249	0.2079	0.2079
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Toxoplasma gondii	Erv1 / Alr family protein	0.0038	0.0155	0.6292
Mycobacterium ulcerans	dehydrogenase	0.0047	0.0236	0.9573
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0383	0.0383
Brugia malayi	celfurPC protein	0.0903	0.8029	0.8029
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0131	0.0131
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0057	0.0333	0.0333
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0047	0.0236	0.9573
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0131	0.0164
Plasmodium falciparum	subtilisin-like protease 3	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0038	0.0155	0.6292
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0048	0.0247	0.0308
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Plasmodium vivax	hypothetical protein, conserved	0.0047	0.0236	0.9573
Loa Loa (eye worm)	hypothetical protein	0.0249	0.2079	0.2079
Echinococcus granulosus	membrane bound transcription factor site 1	0.0048	0.0247	0.0247
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0048	0.0247	1
Plasmodium falciparum	subtilisin-like protease 2	0.0048	0.0247	1
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0127	0.0971	0.0971
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0057	0.0333	0.0333
Loa Loa (eye worm)	subtilase	0.0048	0.0247	0.0247
Toxoplasma gondii	subtilisin SUB8	0.0048	0.0247	1
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0057	0.0333	0.0415
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Trypanosoma brucei	subtilisin peptidase	0.0048	0.0247	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0048	0.0247	0.0411
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0127	0.0971	0.0971
Echinococcus granulosus	GPCR family 2	0.0035	0.0131	0.0131
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0127	0.0971	0.121
Trypanosoma cruzi	subtilisin peptidase	0.0048	0.0247	1
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0187	0.151	0.151
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.1782	0.2969
Loa Loa (eye worm)	hypothetical protein	0.023	0.1903	0.1903
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.068	0.6004	0.6004

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 50 %	Cytotoxicity against human Raji cells assessed as cell viability at 1000 molar ratio after 48 hrs	ChEMBL.	10425119
Activity (ADMET)	> 80 %	Cytotoxicity against human Raji cells assessed as cell viability at 500 molar ratio after 48 hrs	ChEMBL.	10425119
Activity (ADMET)	> 80 %	Cytotoxicity against human Raji cells assessed as cell viability at 100 molar ratio after 48 hrs	ChEMBL.	10425119
Activity (ADMET)	> 80 %	Cytotoxicity against human Raji cells assessed as cell viability at 10 molar ratio after 48 hrs	ChEMBL.	10425119

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.

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External resources for this compound

ChEMBL: CHEMBL493852

Bibliographic References

No literature references available for this target.

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Detailed information for compound 994744