TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 443.537 | Formula: C27H29N3O3
H donors: 1 H acceptors: 3 LogP: 4.42 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C([C@@H]1CC[C@H](CC1)N1C(=O)OC([C@@H]1c1ccccc1)(C)C)Nc1cccc2c1nccc2
InChi: 1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1
InChiKey: AMYVNCAWBFVJCR-HFMPRLQTSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tankyrase, TRF1-interacting ankyrin-related ADP-ribose polymerase	Starlite/ChEMBL	References
Homo sapiens	tankyrase, TRF1-interacting ankyrin-related ADP-ribose polymerase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131205	All targets in OG5_131205
Echinococcus granulosus	tankyrase	Get druggable targets OG5_131205	All targets in OG5_131205
Onchocerca volvulus	Tankyrase homolog	Get druggable targets OG5_131205	All targets in OG5_131205
Schistosoma mansoni	tankyrase	Get druggable targets OG5_131205	All targets in OG5_131205
Brugia malayi	Tnks protein	Get druggable targets OG5_131205	All targets in OG5_131205
Echinococcus multilocularis	tankyrase	Get druggable targets OG5_131205	All targets in OG5_131205
Schistosoma japonicum	Tankyrase-1, putative	Get druggable targets OG5_131205	All targets in OG5_131205
Theileria parva	hypothetical protein	Get druggable targets OG5_131205	All targets in OG5_131205
Schistosoma japonicum	ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], putative	Get druggable targets OG5_131205	All targets in OG5_131205
Loa Loa (eye worm)	tnks protein	Get druggable targets OG5_131205	All targets in OG5_131205

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
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0	0.0011
Mycobacterium tuberculosis	Conserved protein	0.0011	0.0134	0.5
Onchocerca volvulus		0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0011	0.0134	0.5
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0011	0.0134	0.0134
Mycobacterium leprae	probable isochorismate synthase EntC	0.0011	0.0134	0.5
Brugia malayi	WGR domain containing protein	0.0024	0.0334	0.1322
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0011	0.0134	0.4015
Trypanosoma cruzi	palmitoyl acyltransferase 1, putative	0.0003	0.0004	0.0004
Echinococcus multilocularis	stromal interaction molecule 1	0.0015	0.0194	0.0194
Brugia malayi	phosphoglycerate mutase family protein	0.0011	0.0134	0.0531
Treponema pallidum	phosphoglyceromutase	0.0011	0.0134	0.5
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0011	0.0134	0.0134
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0024	0.0334	0.0568
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0011	0.0134	0.4015
Brugia malayi	phosphoglycerate mutase family protein	0.0011	0.0134	0.0531
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0011	0.0134	0.4015
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0003	0.0004	0.0109
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0024	0.0334	0.0334
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0011	0.0134	0.0134
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0015	0.0194	0.0194
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.001	0.0303
Echinococcus granulosus	tankyrase	0.0169	0.2552	0.2552
Schistosoma mansoni	hypothetical protein	0.0011	0.0134	0.0134
Leishmania major	phosphoglycerate mutase, putative	0.0011	0.0134	0.0134
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0387	0.5887	1
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0011	0.0134	0.0134
Echinococcus granulosus	liprin beta 1	0.0015	0.0194	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0194	0.0194
Echinococcus granulosus	phosphoglycerate mutase	0.0011	0.0134	0.0134
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0011	0.0134	0.5
Plasmodium falciparum	protein kinase, putative	0.0015	0.0194	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0011	0.0134	0.0134
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0011	0.0134	0.0134
Echinococcus granulosus	liprin alpha 2	0.0015	0.0194	0.0194
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0015	0.0194	1
Leishmania major	hypothetical protein, conserved	0.0011	0.0134	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0024	0.0334	0.0334
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Brugia malayi	WGR domain containing protein	0.0024	0.0334	0.1322
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0194	0.5796
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0024	0.0334	0.0334
Trichomonas vaginalis	serine/threonine-protein kinase ripk4, putative	0.0002	0	0.0011
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0	0.0011
Giardia lamblia	Hypothetical protein	0.0387	0.5887	1
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0011	0.0134	0.5
Toxoplasma gondii	phosphoglycerate mutase	0.0011	0.0134	0.4015
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0015	0.0194	0.5796
Schistosoma mansoni	hypothetical protein	0.0011	0.0134	0.0134
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0024	0.0334	0.0334
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Entamoeba histolytica	hypothetical protein	0.0024	0.0334	0.0568
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0015	0.0194	0.0194
Echinococcus multilocularis	phosphoglycerate mutase	0.0011	0.0134	0.0134
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0024	0.0334	0.0334
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Brugia malayi	Patatin-like phospholipase family protein	0.0003	0.0004	0.0014
Trichomonas vaginalis	tankyrase, putative	0.0002	0	0.0011
Brugia malayi	Neurabin protein 1	0.0015	0.0194	0.0766
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0011	0.0134	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Mycobacterium leprae	conserved hypothetical protein	0.0011	0.0134	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0011	0.0134	0.0134
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0011	0.0134	0.0134
Trypanosoma brucei	palmitoyl acyltransferase 1, putative	0.0003	0.0004	0.0004
Schistosoma mansoni	phosphoglycerate mutase	0.0011	0.0134	0.0134
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12B, putative	0.0002	0	0.0011
Entamoeba histolytica	zinc finger protein, putative	0.0024	0.0334	0.0568
Brugia malayi	hypothetical protein	0.0015	0.0194	0.0766
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Trichomonas vaginalis	ankyrin repeat-rich membrane-spanning protein, putative	0.0002	0	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0015	0.0194	0.0194
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0011	0.0134	0.0134
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0003	0.0004	0.0004
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0655	1	1
Mycobacterium tuberculosis	Conserved protein	0.0011	0.0134	0.5
Loa Loa (eye worm)	hypothetical protein	0.0655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0134	0.0134
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0003	0.0004	0.0109
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0024	0.0334	0.0334
Echinococcus multilocularis	liprin alpha 2	0.0015	0.0194	0.0194
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0003	0.0004	0.0109
Entamoeba histolytica	hypothetical protein	0.0024	0.0334	0.0568
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0024	0.0334	0.0334
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0011	0.0134	0.0134
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0011	0.0134	0.5
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0011	0.0134	0.5
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0011	0.0134	0.0134
Schistosoma mansoni	hypothetical protein	0.0011	0.0134	0.0134
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0011	0.0134	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0134	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0194	0.5796
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0194	0.0194
Onchocerca volvulus		0.0015	0.0194	0.0194
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0655	1	1
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0024	0.0334	0.0334
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0	0.0011
Echinococcus granulosus	phosphoglycerate mutase	0.0011	0.0134	0.0134
Echinococcus granulosus	Ankyrin	0.0003	0.0004	0.0004
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0024	0.0334	0.0334
Leishmania major	huntingtin interacting protein (HIP), putative	0.0003	0.0004	0.0004
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Brugia malayi	Liprin-alpha 2	0.0015	0.0194	0.0766
Schistosoma mansoni	ankyrin 23/unc44	0.0003	0.0004	0.0004
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0011	0.0134	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0011	0.0134	0.4015
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0644	0.9831	0.9831
Loa Loa (eye worm)	phosphoglycerate mutase	0.0011	0.0134	0.0134
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0011	0.0134	0.0134
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0011	0.0134	0.0134
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0011	0.0134	0.0134
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0011	0.0134	0.0134
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin, putative	0.0003	0.0004	0.0109
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0655	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Giardia lamblia	Hypothetical protein	0.0387	0.5887	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0644	0.9831	0.9831
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0011	0.0134	0.5
Echinococcus granulosus	Sterile alpha motif SAM	0.0015	0.0194	0.0194
Echinococcus multilocularis	liprin beta 1	0.0015	0.0194	0.0194
Giardia lamblia	Kinase, NEK	0.0003	0.0004	0.0006
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0011	0.0134	0.0228
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.028	0.4247	0.4247
Entamoeba histolytica	hypothetical protein	0.0024	0.0334	0.0568
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0015	0.0194	0.0194
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0011	0.0134	0.4015
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0011	0.0134	0.4015
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.012
Trypanosoma cruzi	palmitoyl acyltransferase 1, putative	0.0003	0.0004	0.0004
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0003	0.001	0.0291
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0011	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0194	0.0194
Schistosoma mansoni	tankyrase	0.0169	0.2556	0.2556
Schistosoma mansoni	hypothetical protein	0.0015	0.0194	0.0194
Giardia lamblia	Kinase, NEK	0.0003	0.0004	0.0006
Brugia malayi	UBASH3A protein homolog	0.0011	0.0134	0.0531
Echinococcus multilocularis	Ankyrin	0.0003	0.0004	0.0004
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0011	0.0134	0.4015
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0011	0.0134	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0011	0.0134	0.4015
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0011	0.0134	0.0228
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Echinococcus granulosus	poly adp ribose polymerase 2	0.0024	0.0334	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0004	0.0004
Leishmania major	glycerolphosphate mutase, putative	0.0011	0.0134	0.0134
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Mycobacterium ulcerans	hypothetical protein	0.0387	0.5887	1
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0134	0.4015
Onchocerca volvulus	Tankyrase homolog	0.0152	0.2288	0.2288
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.028	0.4247	0.4247
Schistosoma mansoni	hypothetical protein	0.0015	0.0194	0.0194
Plasmodium falciparum	tyrosine kinase-like protein	0.0015	0.0194	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0011	0.0134	0.0134
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0003	0.0004	0.0109
Trichomonas vaginalis	ion channel nompc, putative	0.0003	0.0004	0.0109
Trichomonas vaginalis	E3 ubiquitin protein ligase, putative	0.0002	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0376	0.5718	0.5718
Echinococcus multilocularis	phosphoglycerate mutase	0.0011	0.0134	0.0134
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0003	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0015	0.0194	0.0194
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0011	0.0134	0.0134
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0003	0.0014	0.0411
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0015	0.0194	0.0766
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0011	0.0134	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0644	0.9831	0.9831
Leishmania major	hypothetical protein, conserved	0.0011	0.0134	0.0134
Schistosoma mansoni	hypothetical protein	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0003	0.0004	0.0109
Echinococcus granulosus	phosphoglycerate mutase	0.0011	0.0134	0.0134
Onchocerca volvulus		0.0011	0.0134	0.0134
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0011	0.0134	0.0134
Leishmania major	phosphoglycerate mutase protein, putative	0.0011	0.0134	0.0134
Brugia malayi	hypothetical protein	0.0015	0.0194	0.0766
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin, putative	0.0003	0.0004	0.012
Trichomonas vaginalis	ankyrin, putative	0.0002	0	0.0011
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0655	1	1
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0011	0.0134	0.0134
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0011	0.0134	0.4015
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0011	0.0134	0.0134
Onchocerca volvulus		0.0015	0.0194	0.0194
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0003	0.0004	0.0109
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.028	0.4247	0.4247
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0015	0.0194	0.5796
Loa Loa (eye worm)	hypothetical protein	0.0644	0.9831	0.9831
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12C, putative	0.0003	0.0004	0.0109
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0024	0.0334	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0194	0.0194
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0387	0.5887	1
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0011	0.0134	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0011	0.0134	0.4015
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0134	0.0134
Echinococcus multilocularis	phosphoglycerate mutase	0.0011	0.0134	0.0134
Leishmania major	hypothetical protein, conserved	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0011
Brugia malayi	Uncoordinated protein 44	0.0002	0	0.0001
Onchocerca volvulus		0.0655	1	1
Echinococcus granulosus	SAM domain containing protein	0.0015	0.0194	0.0194
Onchocerca volvulus		0.0011	0.0134	0.0134
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0655	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0194	0.5796
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0015	0.0194	0.0194
Schistosoma mansoni	hypothetical protein	0.0015	0.0194	0.0194
Echinococcus multilocularis	SAM domain containing protein	0.0015	0.0194	0.0194
Leishmania major	hypothetical protein, unknown function	0.0011	0.0134	0.0134
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0011	0.0134	0.5
Echinococcus granulosus	phosphoglycerate mutase	0.0011	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1922	0.1922
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0024	0.0334	0.0334
Schistosoma mansoni	hypothetical protein	0.0011	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0194	0.0194
Trichomonas vaginalis	inversin, putative	0.0002	0	0.0011
Trichomonas vaginalis	ankyrin, putative	0.0002	0	0.0011
Brugia malayi	Tnks protein	0.0168	0.253	1
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0011	0.0134	0.0134
Mycobacterium leprae	conserved hypothetical protein	0.0011	0.0134	0.5
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0011	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0334	0.0334
Schistosoma mansoni	sarm1	0.0015	0.0194	0.0194
Schistosoma mansoni	hypothetical protein	0.0011	0.0134	0.0134
Entamoeba histolytica	hypothetical protein	0.0024	0.0334	0.0568
Echinococcus multilocularis	phosphoglycerate mutase	0.0011	0.0134	0.0134
Echinococcus granulosus	stromal interaction molecule 1	0.0015	0.0194	0.0194
Schistosoma mansoni	6-phosphofructokinase	0.0655	1	1
Schistosoma mansoni	phosphoglycerate mutase	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat domain-containing protein, putative	0.0002	0	0.0011
Trichomonas vaginalis	multiple ankyrin repeats single kh domain protein, putative	0.0003	0.0004	0.0109
Mycobacterium leprae	conserved hypothetical protein	0.0011	0.0134	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0011	0.0134	0.5
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0003	0.0004	0.0109
Loa Loa (eye worm)	tnks protein	0.0154	0.2327	0.2327
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0644	0.9831	0.9831
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0282	0.4282	0.4282
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0134	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0134	0.4015
Echinococcus granulosus	phosphoglycerate mutase	0.0011	0.0134	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0334	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0011	0.0134	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0194	0.5796
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0011	0.0134	0.0134
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.0004	0.0109
Echinococcus multilocularis	tankyrase	0.0169	0.2552	0.2552
Brugia malayi	coiled-coil like protein 1	0.0015	0.0194	0.0766

Activities

Activity type	Activity value	Assay description	Source	Reference
Cmax (ADMET)	= 0.25 uM	Cmax in CD-1 mouse at 30 mg/kg, po	ChEMBL.	23701517
EC50 (binding)	= 0.64 uM	Inhibition of tankyrase in human SW480 cells assessed as accumulation of axin2 after 24 hrs by Hoechst dye-based method	ChEMBL.	23701517
IC50 (binding)	= 0.016 uM	Inhibition of 6XHis-tagged tankyrase1 (1091 to 1325) (unknown origin) after 60 mins in presence of NAD	ChEMBL.	23701517
IC50 (binding)	= 0.39 uM	Inhibition of tankyrase in human SW480 cells assessed as degradation of beta catenin after 40 to 48 hrs	ChEMBL.	23701517

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: CHEMBL2381960

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1765265