TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.417 | Formula: C26H17NO4
H donors: 0 H acceptors: 2 LogP: 4.78 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C=CC2(c3c1c(ccc3)OCc1cccnc1)Oc1cccc3c1c(O2)ccc3
InChi: 1S/C26H17NO4/c28-20-12-13-26(30-22-10-1-6-18-7-2-11-23(31-26)24(18)22)19-8-3-9-21(25(19)20)29-16-17-5-4-14-27-15-17/h1-15H,16H2
InChiKey: SGJWQZBJMZSHGT-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
Loa Loa (eye worm)	PDE1B protein	0.0101	0.05	0.05
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0619	0.0619
Plasmodium falciparum	phosphodiesterase delta, putative	0.0101	0.05	0.5
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0101	0.05	0.5
Leishmania major	protein kinase, putative	0.0046	0.0082	0.1636
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0101	0.05	0.5
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0101	0.05	0.6085
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.1359	1	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0494	0.0494
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.05	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.05	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0101	0.05	0.6085
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0101	0.05	0.7492
Loa Loa (eye worm)	hypothetical protein	0.1257	0.9233	0.9233
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0101	0.05	1
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0101	0.05	0.05
Trichomonas vaginalis	adenylate cyclase, putative	0.0046	0.0082	0.1636
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0101	0.05	0.6085
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0101	0.05	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.05	0.05
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Leishmania major	hypothetical protein, conserved	0.0101	0.05	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0101	0.05	0.6085
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Plasmodium vivax	phosphodiesterase gamma, putative	0.0101	0.05	1
Mycobacterium ulcerans	lipase LipD	0.0035	0	0.5
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0101	0.05	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.05	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0082	0.1636
Giardia lamblia	hypothetical protein	0.0101	0.05	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0046	0.0082	0.1636
Schistosoma mansoni	aryl hydrocarbon receptor	0.0046	0.0082	0.0082
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0494	0.0494
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0101	0.05	0.7492
Loa Loa (eye worm)	hypothetical protein	0.1257	0.9233	0.9233
Loa Loa (eye worm)	hypothetical protein	0.0101	0.05	0.05
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Echinococcus granulosus	aryl hydrocarbon receptor	0.0046	0.0082	0.1226
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Leishmania major	protein kinase, putative	0.0046	0.0082	0.1636
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0494	0.0494
Giardia lamblia	Hypothetical protein	0.0101	0.05	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0101	0.05	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.1359	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.05	0.05
Loa Loa (eye worm)	hypothetical protein	0.1257	0.9233	0.9233
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0046	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.1359	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0144	0.0821	0.0821
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0144	0.0821	1
Trypanosoma brucei	hypothetical protein, conserved	0.0101	0.05	1
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Schistosoma mansoni	lipoxygenase	0.0122	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0082	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.05	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0046	0.0082	0.1636
Schistosoma mansoni	lipoxygenase	0.0086	0.038	0.038
Schistosoma mansoni	hypothetical protein	0.0069	0.0253	0.0253
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0082	0.1636
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0	0.5
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0101	0.05	0.05
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0046	0.0082	0.1636
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0082	0.1636
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0101	0.05	1
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0046	0.0082	0.1636
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.05	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Schistosoma mansoni	thyroid hormone receptor	0.0144	0.0821	0.0821
Mycobacterium ulcerans	beta-lactamase	0.0035	0	0.5
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0619	0.0619
Onchocerca volvulus		0.0046	0.0082	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0046	0.0082	0.1636
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0046	0.0082	0.1636
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Schistosoma mansoni	hypothetical protein	0.0124	0.0667	0.0667
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0101	0.05	0.7492
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0253	0.0253
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.05	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.05	1
Mycobacterium leprae	Possible regulatory protein	0.0046	0.0082	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0101	0.05	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.0667	0.8122
Brugia malayi	PAS domain containing protein	0.0046	0.0082	0.0082
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0101	0.05	0.7492
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0101	0.05	0.05
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0046	0.0082	0.0996
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.05	1
Leishmania major	hypothetical protein, conserved	0.0101	0.05	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0494	0.0494
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0101	0.05	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0122	0.0658	0.9864
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0101	0.05	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.0667	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0046	0.0082	0.1636
Brugia malayi	hypothetical protein	0.0046	0.0082	0.0082
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0101	0.05	0.6085
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0046	0.0082	0.1226
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0101	0.05	0.05
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0046	0.0082	0.1636
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0101	0.05	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0046	0.0082	0.1636
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0046	0.0082	0.1636
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0101	0.05	0.7492
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0046	0.0082	0.1636
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0101	0.05	0.7492
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0101	0.05	0.6085
Schistosoma mansoni	single-minded	0.0046	0.0082	0.0082
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0082	0.0082
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0122	0.0658	0.8011
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0101	0.05	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0046	0.0082	0.0996
Mycobacterium ulcerans	hypothetical protein	0.0035	0	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0046	0.0082	0.1636
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.144	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0101	0.05	0.05
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0101	0.05	0.05
Brugia malayi	MH2 domain containing protein	0.0117	0.0619	0.0619
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0101	0.05	0.05
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0101	0.05	0.7492
Trichomonas vaginalis	guanylate cyclase, putative	0.0046	0.0082	0.1636
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0101	0.05	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0101	0.05	0.05
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	1
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0101	0.05	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0046	0.0082	0.1636
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0101	0.05	0.6085
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0101	0.05	0.7492
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0046	0.0082	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0101	0.05	1
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0101	0.05	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0101	0.05	0.6085
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0253	0.0253
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0101	0.05	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0101	0.05	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.4 uM	Ability to inhibit the growth of MDA-MB-231 cell line	ChEMBL.	11551767
IC50 (functional)	= 1.4 uM	Ability to inhibit the growth of MDA-MB-231 cell line	ChEMBL.	11551767
IC50 (functional)	= 1.5 uM	Ability to inhibit the growth of MCF-7 cell line	ChEMBL.	11551767
IC50 (functional)	= 1.5 uM	Ability to inhibit the growth of MCF-7 cell line	ChEMBL.	11551767
IC50 (binding)	> 50 uM	Inhibition of thioredoxin reductase	ChEMBL.	11551767
IC50 (functional)	> 50 uM	Inhibition of thioredoxin-1/thioredoxin reductase system	ChEMBL.	11551767
IC50 (binding)	> 50 uM	Inhibition of thioredoxin reductase	ChEMBL.	11551767
IC50 (functional)	> 50 uM	Inhibition of thioredoxin-1/thioredoxin reductase system	ChEMBL.	11551767

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11551767

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

PubChem: 10250813

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 144138