TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 720.802 | Formula: C40H48O12
H donors: 6 H acceptors: 10 LogP: 8.98 Rotable bonds: 15
Rule of 5 violations (Lipinski): 3
SMILES: CC(CC(=O)c1c(O)c(C(c2c(O)c(C(=O)CC(C)C)c(c(c2O)C(=O)CC(C)C)O)c2ccc3c(c2)OCO3)c(c(c1O)C(=O)CC(C)C)O)C
InChi: 1S/C40H48O12/c1-17(2)11-22(41)29-35(45)30(23(42)12-18(3)4)38(48)33(37(29)47)28(21-9-10-26-27(15-21)52-16-51-26)34-39(49)31(24(43)13-19(5)6)36(46)32(40(34)50)25(44)14-20(7)8/h9-10,15,17-20,28,45-50H,11-14,16H2,1-8H3
InChiKey: PEVKBPQTVLMNPF-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
Leishmania major	hypothetical protein, conserved	0.0355	0.3433	1
Trypanosoma brucei	hypothetical protein, conserved	0.0355	0.3433	1
Schistosoma mansoni	brg-1 associated factor	0.0997	0.9943	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0247	0.0249
Trypanosoma brucei	Plus-3 domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0105	0.0084
Echinococcus multilocularis	zinc finger protein Ran binding	0.0355	0.3433	0.3421
Plasmodium vivax	hypothetical protein, conserved	0.0997	0.9943	1
Onchocerca volvulus	Alhambra homolog	0.003	0.0146	0.0126
Echinococcus granulosus	transcription factor Dp 1	0.004	0.0242	0.0224
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.0398	0.038
Trypanosoma brucei	ring finger containing protein	0.0018	0.0021	0.0062
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0997	0.9943	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0233	0.0213
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0355	0.3433	0.3438
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Schistosoma mansoni	RNA binding protein	0.0355	0.3433	0.3453
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0268	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0585	0.0568
Echinococcus granulosus	ring and YY1 binding protein	0.0355	0.3433	0.3421
Brugia malayi	PHD-finger family protein	0.0028	0.0118	0.0108
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0093	0.0074
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0997	0.9943	1
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0233	0.0213
Echinococcus multilocularis	E3 ubiquitin protein ligase Bre1	0.0018	0.0021	0.0003
Plasmodium falciparum	basic transcription factor 3b, putative	0.0039	0.0233	0.0213
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0485	0.0467
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0018	0.0021	0.0003
Trypanosoma cruzi	Plus-3 domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0121	0.0111
Schistosoma mansoni	peter pan-related	0.0018	0.0021	0.0022
Brugia malayi	F/Y-rich N-terminus family protein	0.002	0.0046	0.0035
Schistosoma mansoni	cellular tumor antigen P53	0.0147	0.1326	0.1333
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0025	0.0004
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0522	0.0525
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.0247	0.0229
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0997	0.9943	1
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma cruzi	Plus-3 domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0233	0.0213
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0267	0.0249
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Trypanosoma brucei	hypothetical protein, conserved	0.0355	0.3433	1
Schistosoma mansoni	transcription factor btf3	0.0039	0.0233	0.0234
Echinococcus granulosus	transcription factor btf3	0.0039	0.0233	0.0215
Brugia malayi	Hypothetical RING finger protein C16C10.7 in chromosome III	0.0018	0.0021	0.0011
Echinococcus granulosus	peregrin	0.0033	0.0171	0.0153
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0025	0.0003
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Echinococcus granulosus	ring finger protein 113a	0.0018	0.0021	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0355	0.3433	0.3438
Onchocerca volvulus		0.0997	0.9943	1
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0069	0.0535	0.0538
Echinococcus multilocularis	SWI:SNF matrix associated	0.0997	0.9943	0.9943
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Echinococcus multilocularis	SWI:SNF matrix associated	0.0997	0.9943	0.9943
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0437	0.044
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0355	0.3433	0.3446
Leishmania major	hypothetical protein, conserved	0.0355	0.3433	1
Schistosoma mansoni	hypothetical protein	0.0997	0.9943	1
Brugia malayi	Bromodomain containing protein	0.0033	0.0171	0.0162
Trypanosoma brucei	Plus-3 domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Echinococcus multilocularis	E3 ubiquitin protein ligase LRSAM1	0.0018	0.0021	0.0003
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1326	0.1315
Echinococcus multilocularis	dnaJ subfamily B	0.0397	0.386	0.3849
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0069	0.0535	0.0528
Echinococcus granulosus	E3 ubiquitin protein ligase RNF146	0.0018	0.0021	0.0003
Echinococcus multilocularis	microtubule associated protein 2	0.0753	0.7471	0.7467
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0211	0.0193
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Echinococcus multilocularis	ring finger protein 170	0.0018	0.0021	0.0003
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0069	0.0535	0.0518
Entamoeba histolytica	hypothetical protein	0.0039	0.0233	0.4115
Echinococcus granulosus	zinc finger protein	0.0022	0.0061	0.0043
Echinococcus granulosus	E3 ubiquitin protein ligase MYLIP	0.0018	0.0021	0.0003
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0011
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0146	0.0147
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0011
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger)/EF-hand domain pair, putative	0.0018	0.0021	0.0062
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0025	0.0025
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0997	0.9943	0.9943
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.0474	0.0456
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0105	0.0084
Schistosoma mansoni	zinc finger protein	0.0355	0.3433	0.3453
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0247	0.0249
Schistosoma mansoni	cpg binding protein	0.0031	0.0157	0.0158
Trypanosoma cruzi	Plus-3 domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0069	0.0535	0.0518
Leishmania major	hypothetical protein, conserved	0.0026	0.0105	0.0305
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0997	0.9943	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0997	0.9943	0.9943
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Schistosoma mansoni	hypothetical protein	0.0397	0.386	0.3882
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0355	0.3433	1
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Brugia malayi	Neuralized family protein	0.0018	0.0021	0.0011
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.0639	0.0643
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0025	0.0025
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0355	0.3433	0.3446
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Echinococcus multilocularis	ring and YY1 binding protein	0.0355	0.3433	0.3421
Trypanosoma cruzi	hypothetical protein	0.0018	0.0021	0.0062
Leishmania major	hypothetical protein, unknown function	0.0018	0.0021	0.0062
Trypanosoma cruzi	WLM domain containing protein, putative	0.0355	0.3433	1
Leishmania major	hypothetical protein, conserved	0.0355	0.3433	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0366	0.0347
Toxoplasma gondii	ran binding protein	0.0355	0.3433	0.3438
Brugia malayi	Bromodomain containing protein	0.008	0.0646	0.064
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0233	0.0678
Chlamydia trachomatis	SWIB complex protein	0.0997	0.9943	0.5
Echinococcus multilocularis	ring finger protein 113a	0.0018	0.0021	0.0003
Entamoeba histolytica	transcription factor BTF3, putative	0.0039	0.0233	0.4115
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Schistosoma mansoni	TRABID protein (C64 family)	0.0355	0.3433	0.3453
Brugia malayi	PHD-finger family protein	0.003	0.0146	0.0137
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0093	0.0074
Echinococcus multilocularis	zinc finger protein	0.0022	0.0061	0.0043
Brugia malayi	brahma associated protein 60 kDa	0.0997	0.9943	1
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0535	0.1559
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Chlamydia trachomatis	DNA topoisomerase I	0.0997	0.9943	0.5
Trypanosoma cruzi	Plus-3 domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0056	0.0035
Leishmania major	hypothetical protein	0.0018	0.0021	0.0062
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0355	0.3433	1
Echinococcus granulosus	RING finger protein 185	0.0018	0.0021	0.0003
Brugia malayi	RING zinc finger protein	0.0018	0.0021	0.0011
Schistosoma mansoni	hypothetical protein	0.0997	0.9943	1
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0011
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0105	0.0305
Plasmodium falciparum	phd finger protein, putative	0.003	0.0146	0.0126
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma cruzi	Ankyrin repeats (3 copies)/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger)/EF-hand domain pair, putative	0.0018	0.0021	0.0062
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0233	0.0213
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0485	0.0467
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0146	0.0126
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0846	0.0829
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0233	0.0213
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0022
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0105	0.0305
Echinococcus multilocularis		0.0018	0.0021	0.0003
Echinococcus granulosus	ring finger protein 170	0.0018	0.0021	0.0003
Trypanosoma brucei	DNA repair protein, putative	0.0018	0.0021	0.0062
Echinococcus multilocularis	tumor protein p63	0.1003	1	1
Loa Loa (eye worm)	hypothetical protein	0.0355	0.3433	0.3438
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0218	0.02
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0021	0.0022
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0846	0.0829
Schistosoma mansoni	hypothetical protein	0.003	0.0146	0.0147
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0997	0.9943	1
Echinococcus granulosus	E3 ubiquitin protein ligase LRSAM1	0.0018	0.0021	0.0003
Brugia malayi	Zinc finger protein 183 homolog	0.0018	0.0021	0.0011
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0011
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0355	0.3433	0.3438
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0355	0.3433	1
Brugia malayi	brahma associated protein 60 kDa	0.0997	0.9943	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0069	0.0535	1
Brugia malayi	Bromodomain containing protein	0.004	0.0243	0.0234
Brugia malayi	B-box zinc finger family protein	0.0018	0.0021	0.0011
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0146	0.0128
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0355	0.3433	0.3438
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0146	0.0126
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0218	0.02
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0233	0.0678
Loa Loa (eye worm)	hypothetical protein	0.004	0.0243	0.0224
Schistosoma mansoni	mind bomb	0.0018	0.0021	0.0022
Trypanosoma brucei	SNF2 family N-terminal domain/Ring finger domain containing protein, putative	0.0018	0.0021	0.0062
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Onchocerca volvulus		0.0355	0.3433	0.3438
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0233	0.0213
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.0242	0.0224
Schistosoma mansoni	zinc finger protein	0.0018	0.0021	0.0022
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0355	0.3433	1
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0267	0.0249
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0022
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0355	0.3433	1
Schistosoma mansoni	zinc finger protein	0.0022	0.0061	0.0062
Leishmania major	DNA repair protein-like protein	0.0018	0.0021	0.0062
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Brugia malayi	Zinc finger, C2H2 type family protein	0.0018	0.0021	0.0011
Echinococcus granulosus	zinc finger protein Ran binding	0.0355	0.3433	0.3421
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0355	0.3433	0.3421
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.0247	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0355	0.3433	0.3438
Schistosoma mansoni	peter pan-related	0.0018	0.0021	0.0022
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Schistosoma mansoni	cpg binding protein	0.0031	0.0157	0.0158
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0093	0.0093
Echinococcus granulosus	SWI:SNF matrix associated	0.0997	0.9943	0.9943
Schistosoma mansoni	hypothetical protein	0.0355	0.3433	0.3453
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0233	0.0678
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Schistosoma mansoni	ring finger protein 151	0.0018	0.0021	0.0022
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0018	0.0021	0.0003
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0146	0.0126
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0355	0.3433	1
Echinococcus multilocularis	RING finger protein 185	0.0018	0.0021	0.0003
Brugia malayi	jmjC domain containing protein	0.0099	0.0846	0.0842
Leishmania major	basic transcription factor 3a, putative	0.0039	0.0233	0.0678
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0146	0.0126
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0355	0.3433	0.3421
Echinococcus granulosus	Zinc finger RanBP2 type	0.0355	0.3433	0.3421
Onchocerca volvulus		0.0147	0.1326	0.1315
Trypanosoma cruzi	hypothetical protein	0.0018	0.0021	0.0062
Brugia malayi	SWIB/MDM2 domain containing protein	0.0997	0.9943	1
Echinococcus granulosus	microtubule associated protein 2	0.0753	0.7471	0.7467
Loa Loa (eye worm)	hypothetical protein	0.0355	0.3433	0.3438
Giardia lamblia	PHD finger protein 15	0.003	0.0146	1
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma brucei	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0021	0.0062
Echinococcus granulosus	dnaJ subfamily B	0.0397	0.386	0.3849
Trypanosoma cruzi	WLM domain containing protein, putative	0.0355	0.3433	1
Echinococcus granulosus	cpg binding protein	0.0031	0.0157	0.0139
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0105	0.0305
Schistosoma mansoni	hypothetical protein	0.0997	0.9943	1
Loa Loa (eye worm)	brahma associated protein	0.0997	0.9943	1
Brugia malayi	YY1-associated factor 2	0.0355	0.3433	0.3446
Echinococcus multilocularis	E3 ubiquitin protein ligase MYLIP	0.0018	0.0021	0.0003
Schistosoma mansoni	cpg binding protein	0.0028	0.0121	0.0122
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0069	0.0535	0.0518
Leishmania major	hypothetical protein, conserved	0.0355	0.3433	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0305	0.0286
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0105	0.0084
Brugia malayi	jmjC domain containing protein	0.004	0.0247	0.0239
Brugia malayi	beta-NAC-like protein	0.0039	0.0233	0.0224
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0105	0.0084
Onchocerca volvulus		0.0028	0.0121	0.01
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0355	0.3433	0.3446
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0355	0.3433	0.3446
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0011
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0355	0.3433	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0105	0.0084
Echinococcus granulosus	RING finger and transmembrane domain containing protein	0.0018	0.0021	0.0003
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0146	0.0128
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0535	0.1559
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0121	0.01
Trypanosoma brucei	Ankyrin repeats (3 copies)/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Onchocerca volvulus		0.0355	0.3433	0.3438
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0018	0.0025	0.0006
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0019	0.0019
Brugia malayi	RING finger protein 20	0.0018	0.0021	0.0011
Trypanosoma cruzi	hypothetical protein, conserved	0.0355	0.3433	1
Echinococcus granulosus	E3 ubiquitin protein ligase Bre1	0.0018	0.0021	0.0003
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0233	0.0215
Trichomonas vaginalis	conserved hypothetical protein	0.0997	0.9943	1
Brugia malayi	hypothetical protein	0.0018	0.0021	0.0011
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0535	0.1559
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Leishmania major	hypothetical protein, conserved	0.0355	0.3433	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0997	0.9943	0.9943
Schistosoma mansoni	rnf5	0.0018	0.0021	0.0022
Echinococcus multilocularis	RING finger and transmembrane domain containing protein	0.0018	0.0021	0.0003
Schistosoma mansoni	inhibitor of apoptosis 1 diap1	0.0018	0.0021	0.0022
Onchocerca volvulus		0.0355	0.3433	0.3438
Onchocerca volvulus		0.0355	0.3433	0.3438
Schistosoma mansoni	hypothetical protein	0.0021	0.0056	0.0057
Trypanosoma cruzi	hypothetical protein, conserved	0.0355	0.3433	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0069	0.0535	0.1559
Trypanosoma cruzi	Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Schistosoma mansoni	microtubule-associated protein tau	0.0753	0.7471	0.7514
Trypanosoma cruzi	hypothetical protein, conserved	0.0355	0.3433	1
Echinococcus granulosus	cell growth regulator with ring finger domain	0.0018	0.0021	0.0003
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Brugia malayi	hypothetical protein	0.0026	0.0105	0.0095
Echinococcus multilocularis	cpg binding protein	0.0031	0.0157	0.0139
Loa Loa (eye worm)	hypothetical protein	0.003	0.0146	0.0126
Schistosoma mansoni	fusion	0.0355	0.3433	0.3453
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Leishmania major	hypothetical protein, conserved	0.0018	0.0021	0.0062
Trypanosoma cruzi	Ankyrin repeats (3 copies)/Zinc finger, C3HC4 type (RING finger), putative	0.0018	0.0021	0.0062
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0355	0.3433	0.3438
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0022
Trypanosoma brucei	predicted zinc finger protein	0.0018	0.0021	0.0062
Trypanosoma brucei	Zinc finger, C3HC4 type (RING finger) containing protein, putative	0.0018	0.0021	0.0062
Echinococcus granulosus	histone lysine methyltransferase setb	0.0018	0.0025	0.0006
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0017	0.0009	0.0009
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0997	0.9943	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0355	0.3433	0.3421
Echinococcus multilocularis	peregrin	0.0033	0.0171	0.0153

Activities

Activity type	Activity value	Assay description	Source	Reference
GI (functional)	= 60 %	Growth inhibition of human HCT116 cells at 10 uM after 48 hrs by WST-8 assay	ChEMBL.	22342146
GI (functional)	= 62 %	Growth inhibition of human Calu1 cells at 10 uM after 48 hrs by WST-8 assay	ChEMBL.	22342146
GI (functional)	= 63 %	Growth inhibition of human NCI-H460 cells at 10 uM after 48 hrs by WST-8 assay	ChEMBL.	22342146
GI (functional)	= 67 %	Growth inhibition of human ACHN cells at 10 uM after 48 hrs by WST-8 assay	ChEMBL.	22342146
GI (functional)	= 69 %	Growth inhibition of human PANC1 cells at 10 uM after 48 hrs by WST-8 assay	ChEMBL.	22342146
IC50 (functional)	= 6.5 uM	Cytotoxicity against human Calu1 cells after 48 hrs by WST-8 assay	ChEMBL.	22342146
IC50 (functional)	= 6.6 uM	Cytotoxicity against human NCI-H460 cells after 48 hrs by WST-8 assay	ChEMBL.	22342146
IC50 (functional)	= 6.7 uM	Cytotoxicity against human ACHN cells after 48 hrs by WST-8 assay	ChEMBL.	22342146
IC50 (functional)	= 7.1 uM	Cytotoxicity against human HCT116 cells after 48 hrs by WST-8 assay	ChEMBL.	22342146
IC50 (functional)	= 7.2 uM	Cytotoxicity against human PANC1 cells after 48 hrs by WST-8 assay	ChEMBL.	22342146
IC50 (ADMET)	> 30 uM	Cytotoxicity against human MCF10A cells after 48 hrs by WST-8 assay	ChEMBL.	22342146
MNTD (ADMET)	= 2.77 uM	Cytotoxicity against GFP expressing human CEM cells assessed as maximal non-toxic concentration after 48 to 72 hrs by MTT assay	ChEMBL.	20137956

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22342146

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: CHEMBL591222

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1087827