TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 546.639 | Formula: C18H23NaO10S3Si
H donors: 1 H acceptors: 7 LogP: 1.83 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: [O-]S(=O)(=O)CCO[Si](C1(Cc2cccc3c2cccc3)S(=O)(=O)OCCOS1(=O)=O)(C)C.[Na+]
InChi: 1S/C18H24O10S3Si.Na/c1-32(2,28-12-13-29(19,20)21)18(30(22,23)26-10-11-27-31(18,24)25)14-16-8-5-7-15-6-3-4-9-17(15)16;/h3-9H,10-14H2,1-2H3,(H,19,20,21);/q;+1/p-1
InChiKey: VHXQSZSMXBPPBL-UHFFFAOYSA-M

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
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1399	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1399	1	1
Loa Loa (eye worm)	hypothetical protein	0.0498	0.3475	0.3475
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0498	0.3475	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0498	0.3475	1
Onchocerca volvulus		0.0498	0.3475	0.3438
Brugia malayi	Neuralized family protein	0.0025	0.0056	0.0056
Giardia lamblia	Kinase, NEK	0.0025	0.0056	0.5
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0056
Plasmodium vivax	glutathione reductase, putative	0.0039	0.0156	0.0101
Leishmania major	hypothetical protein, conserved	0.0498	0.3475	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0076	0.0059
Schistosoma mansoni	zinc finger protein	0.0498	0.3475	0.3475
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0904	0.6416	0.6416
Echinococcus granulosus	RING finger and transmembrane domain containing protein	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Trypanosoma brucei	hypothetical protein, conserved	0.0498	0.3475	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0498	0.3475	0.3475
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0148	0.0148
Schistosoma mansoni	brg-1 associated factor	0.1399	1	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1399	1	1
Leishmania major	hypothetical protein, conserved	0.0498	0.3475	1
Brugia malayi	hypothetical protein	0.0028	0.0076	0.0076
Schistosoma mansoni	zinc finger protein	0.0025	0.0056	0.0056
Trypanosoma brucei	hypothetical protein, conserved	0.0498	0.3475	1
Chlamydia trachomatis	DNA topoisomerase I	0.1399	1	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1399	1	1
Giardia lamblia	Zinc finger domain	0.0025	0.0056	0.5
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Brugia malayi	hypothetical protein	0.0018	0.0004	0.0004
Echinococcus granulosus	tumor protein p63	0.1357	0.9697	0.9697
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0275	0.0275
Echinococcus granulosus	zinc finger protein Ran binding	0.0498	0.3475	0.3475
Onchocerca volvulus		0.0498	0.3475	0.3438
Entamoeba histolytica	SPRY domain protein	0.0025	0.0056	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0498	0.3475	1
Leishmania major	hypothetical protein, conserved	0.0498	0.3475	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0275	0.0275
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Entamoeba histolytica	hypothetical protein	0.0025	0.0056	0.5
Leishmania major	hypothetical protein, conserved	0.0498	0.3475	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Onchocerca volvulus		0.1399	1	1
Echinococcus granulosus	E3 ubiquitin protein ligase LRSAM1	0.0025	0.0056	0.0056
Brugia malayi	YY1-associated factor 2	0.0498	0.3475	0.3475
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1399	1	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.004	0.016	0.016
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0275	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0498	0.3475	0.3475
Brugia malayi	B-box zinc finger family protein	0.0025	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0498	0.3475	0.3475
Trypanosoma cruzi	hypothetical protein, conserved	0.0498	0.3475	1
Loa Loa (eye worm)	hypothetical protein	0.0498	0.3475	0.3475
Schistosoma mansoni	fusion	0.0498	0.3475	0.3475
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Brugia malayi	Zinc finger protein 183 homolog	0.0025	0.0056	0.0056
Trypanosoma cruzi	WLM domain containing protein, putative	0.0498	0.3475	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0099	0.0592	1
Brugia malayi	Hypothetical RING finger protein C16C10.7 in chromosome III	0.0025	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0038	0.0148	0.0148
Echinococcus granulosus	ring finger protein 113a	0.0025	0.0056	0.0056
Echinococcus granulosus	Zinc finger RanBP2 type	0.0498	0.3475	0.3475
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0498	0.3475	1
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0056	0.0056
Giardia lamblia	Ribonuclease	0.0025	0.0056	0.5
Echinococcus granulosus	cell growth regulator with ring finger domain	0.0025	0.0056	0.0056
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0076	0.0059
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0076	0.002
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0056
Echinococcus multilocularis	ring and YY1 binding protein	0.0498	0.3475	0.3475
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0498	0.3475	1
Schistosoma mansoni	inhibitor of apoptosis 1 diap1	0.0025	0.0056	0.0056
Giardia lamblia	Kinase	0.0025	0.0056	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0089	0.0519	0.8342
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0089	0.0519	0.8342
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0089	0.0519	0.8342
Trypanosoma brucei	trypanothione reductase	0.0039	0.0156	0.0293
Schistosoma mansoni	peter pan-related	0.0025	0.0056	0.0056
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Leishmania major	hypothetical protein, conserved	0.0028	0.0076	0.0059
Echinococcus multilocularis		0.0025	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.1399	1	1
Echinococcus granulosus	SWI:SNF matrix associated	0.1399	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Echinococcus multilocularis	ring finger protein 170	0.0025	0.0056	0.0056
Echinococcus multilocularis	E3 ubiquitin protein ligase Bre1	0.0025	0.0056	0.0056
Brugia malayi	Zinc finger, C2H2 type family protein	0.0025	0.0056	0.0056
Brugia malayi	brahma associated protein 60 kDa	0.1399	1	1
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0056
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0099	0.0592	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Toxoplasma gondii	thioredoxin reductase	0.0039	0.0156	0.0101
Plasmodium falciparum	glutathione reductase	0.0039	0.0156	0.0101
Onchocerca volvulus		0.0498	0.3475	0.3438
Entamoeba histolytica	hypothetical protein	0.0025	0.0056	0.5
Schistosoma mansoni	hypothetical protein	0.1399	1	1
Giardia lamblia	Zinc finger domain	0.0025	0.0056	0.5
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0025	0.0056	0.0056
Schistosoma mansoni	peter pan-related	0.0025	0.0056	0.0056
Echinococcus granulosus	RING finger protein 185	0.0025	0.0056	0.0056
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Plasmodium vivax	hypothetical protein, conserved	0.1399	1	1
Giardia lamblia	Ser/Thr protein kinase	0.0025	0.0056	0.5
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0199	0.1311	0.1311
Echinococcus multilocularis	RING finger and transmembrane domain containing protein	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0076	0.002
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0498	0.3475	1
Leishmania major	hypothetical protein, conserved	0.0498	0.3475	1
Schistosoma mansoni	RNA binding protein	0.0498	0.3475	0.3475
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0056
Loa Loa (eye worm)	brahma associated protein	0.1399	1	1
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0056
Brugia malayi	SWIB/MDM2 domain containing protein	0.1399	1	1
Giardia lamblia	E3 ubiquitin ligase for Rad6p required for the ubiquitination of histone H2B	0.0025	0.0056	0.5
Echinococcus granulosus	E3 ubiquitin protein ligase MYLIP	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Echinococcus multilocularis	RING finger protein 185	0.0025	0.0056	0.0056
Loa Loa (eye worm)	RiNg Finger protein family member	0.0025	0.0056	0.0056
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1399	1	1
Echinococcus multilocularis	tumor protein p63	0.1357	0.9697	0.9697
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0056
Schistosoma mansoni	cellular tumor antigen P53	0.0199	0.1311	0.1311
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0498	0.3475	0.3438
Schistosoma mansoni	hypothetical protein	0.0025	0.0056	0.0056
Echinococcus multilocularis	SWI:SNF matrix associated	0.1399	1	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0089	0.0519	0.8342
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0275	0.0275
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1399	1	1
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Leishmania major	trypanothione reductase	0.0039	0.0156	0.0293
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Echinococcus granulosus	E3 ubiquitin protein ligase RNF146	0.0025	0.0056	0.0056
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Brugia malayi	glutathione reductase	0.0039	0.0156	0.0156
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0498	0.3475	0.3438
Loa Loa (eye worm)	thioredoxin reductase	0.0039	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0498	0.3475	0.3475
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0076	0.0076
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1399	1	1
Brugia malayi	RING finger protein 20	0.0025	0.0056	0.0056
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Schistosoma mansoni	hypothetical protein	0.0025	0.0056	0.0056
Onchocerca volvulus		0.0199	0.1311	0.1262
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0498	0.3475	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0076	0.002
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0498	0.3475	1
Echinococcus granulosus	ring and YY1 binding protein	0.0498	0.3475	0.3475
Giardia lamblia	Hypothetical protein	0.0025	0.0056	0.5
Echinococcus multilocularis	ring finger protein 113a	0.0025	0.0056	0.0056
Mycobacterium tuberculosis	Probable reductase	0.0089	0.0519	0.8342
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0076	0.0059
Schistosoma mansoni	hypothetical protein	0.0025	0.0056	0.0056
Chlamydia trachomatis	SWIB complex protein	0.1399	1	0.5
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0099	0.0592	1
Echinococcus granulosus	E3 ubiquitin protein ligase Bre1	0.0025	0.0056	0.0056
Schistosoma mansoni	rnf5	0.0025	0.0056	0.0056
Brugia malayi	Thioredoxin reductase	0.0039	0.0156	0.0156
Trypanosoma cruzi	trypanothione reductase, putative	0.0039	0.0156	0.0293
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Plasmodium falciparum	thioredoxin reductase	0.0039	0.0156	0.0101
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0498	0.3475	0.3475
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0089	0.0519	0.8342
Echinococcus multilocularis	zinc finger protein Ran binding	0.0498	0.3475	0.3475
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0498	0.3475	0.3475
Loa Loa (eye worm)	RING finger protein 20	0.0025	0.0056	0.0056
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0498	0.3475	0.3438
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Brugia malayi	RING zinc finger protein	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0498	0.3475	0.3475
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0498	0.3475	0.3475
Echinococcus multilocularis	E3 ubiquitin protein ligase MYLIP	0.0025	0.0056	0.0056
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0076	0.002
Schistosoma mansoni	ring finger protein 151	0.0025	0.0056	0.0056
Giardia lamblia	Kinase, NEK	0.0025	0.0056	0.5
Toxoplasma gondii	ran binding protein	0.0498	0.3475	0.3438
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0498	0.3475	0.3475
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Onchocerca volvulus		0.0498	0.3475	0.3438
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0099	0.0592	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.004	0.016	0.016
Schistosoma mansoni	hypothetical protein	0.1399	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0498	0.3475	1
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Schistosoma mansoni	TRABID protein (C64 family)	0.0498	0.3475	0.3475
Loa Loa (eye worm)	glutathione reductase	0.0039	0.0156	0.0156
Giardia lamblia	Protein 21.1	0.0025	0.0056	0.5
Schistosoma mansoni	mind bomb	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0056
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1399	1	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0498	0.3475	0.3475
Echinococcus granulosus	ring finger protein 170	0.0025	0.0056	0.0056
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0498	0.3475	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0498	0.3475	0.3475
Echinococcus multilocularis	E3 ubiquitin protein ligase LRSAM1	0.0025	0.0056	0.0056
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.1399	1	1
Plasmodium vivax	thioredoxin reductase, putative	0.0039	0.0156	0.0101
Entamoeba histolytica	zinc finger domain containing protein	0.0025	0.0056	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.1399	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.083	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.949	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.761	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.749	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.746	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.743	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.741	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.731	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.708	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.556	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2028414

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1644674