TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 681.839 | Formula: C36H47N3O8S
H donors: 2 H acceptors: 4 LogP: 4.96 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H](N1C[C@H](C)[C@@H](OCCCC[C@H](Oc2c(C1=O)cc(cc2)NS(=O)(=O)c1ccccc1)C)CN(Cc1ccc2c(c1)OCO2)C)C
InChi: 1S/C36H47N3O8S/c1-25-20-39(26(2)23-40)36(41)31-19-29(37-48(42,43)30-11-6-5-7-12-30)14-16-32(31)47-27(3)10-8-9-17-44-35(25)22-38(4)21-28-13-15-33-34(18-28)46-24-45-33/h5-7,11-16,18-19,25-27,35,37,40H,8-10,17,20-24H2,1-4H3/t25-,26+,27+,35-/m0/s1
InChiKey: JXVCNLJRMRUZKV-MJZSVGSSSA-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	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	proteasome alpha 3 subunit, putative	0.003	0.0517	0.0282
Leishmania major	proteasome beta-1 subunit, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit alpha type-3, putative	0.003	0.0517	0.0282
Brugia malayi	proteasome subunit beta type 2	0.003	0.0517	0.0517
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.003	0.0517	0.0282
Brugia malayi	MH2 domain containing protein	0.0144	0.3503	0.3503
Plasmodium vivax	proteasome subunit alpha type-1, putative	0.003	0.0517	0.0282
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome beta 2 subunit, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit alpha type-1, putative	0.003	0.0517	0.0282
Leishmania major	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit beta type-6, putative	0.003	0.0517	0.0282
Leishmania major	proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative)	0.003	0.0517	0.0282
Leishmania major	proteasome beta 3 subunit, putative	0.003	0.0517	0.0282
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.003	0.0517	0.0282
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0241	0.0241
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0393	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3503	0.3503
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.003	0.0517	0.0517
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.003	0.0517	0.0517
Echinococcus granulosus	proteasome subunit beta type 7	0.003	0.0517	0.0517
Loa Loa (eye worm)	proteasome subunit beta type 2	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.003	0.0517	0.0282
Toxoplasma gondii	heat shock protein hslv, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome subunit alpha type-1, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome alpha 1 subunit, putative	0.003	0.0517	0.0282
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.003	0.0517	0.0282
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	20S proteasome subunit	0.003	0.0517	0.0282
Leishmania major	proteasome beta 2 subunit, putative	0.003	0.0517	0.0282
Brugia malayi	proteasome subunit alpha type 4	0.003	0.0517	0.0517
Trypanosoma brucei	proteasome alpha 2 subunit, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit alpha type-5, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit alpha type-4, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.003	0.0517	0.0517
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.003	0.0517	0.0517
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.003	0.0517	0.0517
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3503	0.3503
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0393	1	1
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.003	0.0517	0.0517
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.003	0.0517	0.0517
Mycobacterium ulcerans	proteasome PrcB	0.0393	1	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0241	0.0241
Leishmania major	proteasome beta 7 subunit, putative	0.003	0.0517	0.0282
Plasmodium vivax	ATP-dependent protease subunit ClpQ, putative	0.003	0.0517	0.0282
Brugia malayi	Proteasome subunit alpha type 7-1	0.003	0.0517	0.0517
Leishmania major	proteasome beta 2 subunit, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0241	0.0241
Loa Loa (eye worm)	proteasome subunit beta type 3	0.003	0.0517	0.0517
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.003	0.0517	0.0282
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.003	0.0517	0.0517
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.003	0.0517	0.0517
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.003	0.0517	0.0517
Loa Loa (eye worm)	PAS-3 protein	0.003	0.0517	0.0517
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.003	0.0517	0.0517
Plasmodium falciparum	proteasome subunit alpha type-2, putative	0.003	0.0517	0.0282
Leishmania major	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome subunit alpha type-5, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome beta 3 subunit, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.003	0.0517	0.0282
Plasmodium vivax	proteasome subunit alpha type-7, putative	0.003	0.0517	0.0282
Brugia malayi	proteasome subunit alpha type 6	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.003	0.0517	0.0282
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0393	1	1
Trypanosoma cruzi	proteasome beta 7 subunit, putative	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome subunit	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.003	0.0517	0.0282
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.003	0.0517	0.0517
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.003	0.0517	0.0517
Brugia malayi	Proteasome A-type and B-type family protein	0.003	0.0517	0.0517
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.003	0.0517	0.0517
Brugia malayi	Proteasome subunit alpha type 1	0.003	0.0517	0.0517
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0393	1	1
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.003	0.0517	0.0517
Brugia malayi	proteasome subunit alpha type 2	0.003	0.0517	0.0517
Toxoplasma gondii	proteasome subunit alpha type 1, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.003	0.0517	0.0282
Leishmania major	proteasome alpha 1 subunit, putative	0.003	0.0517	0.0282
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.003	0.0517	0.5
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	proteasome subunit alpha type 2	0.003	0.0517	0.0517
Toxoplasma gondii	peptidase, T1 family protein	0.003	0.0517	0.0282
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0393	1	1
Plasmodium falciparum	proteasome subunit beta type-5	0.0393	1	1
Trypanosoma brucei	proteasome beta 2 subunit, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	proteasome subunit beta type 7	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0393	1	1
Echinococcus granulosus	proteasome subunit beta type 6	0.003	0.0517	0.0517
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Plasmodium falciparum	ATP-dependent protease subunit ClpQ	0.003	0.0517	0.0282
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.003	0.0517	0.0517
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.003	0.0517	0.0517
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0241	0.0241
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.003	0.0517	0.0517
Leishmania major	hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B	0.003	0.0517	0.0282
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.003	0.0517	0.0517
Toxoplasma gondii	proteasome subunit alpha type 5-2, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome beta 7 subunit	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.003	0.0517	0.0282
Plasmodium vivax	proteasome subunit alpha type-6, putative	0.003	0.0517	0.0282
Leishmania major	proteasome alpha 1 subunit, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome subunit beta type 7 precursor, putative	0.003	0.0517	0.0282
Plasmodium falciparum	proteasome subunit alpha type-6, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome alpha 3 subunit, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.003	0.0517	0.0517
Plasmodium falciparum	proteasome subunit beta type-3, putative	0.003	0.0517	0.0282
Brugia malayi	proteasome subunit beta type 3	0.003	0.0517	0.0517
Trypanosoma brucei	proteasome beta-1 subunit, putative	0.003	0.0517	0.0282
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.003	0.0517	0.0517
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.003	0.0517	0.0517
Brugia malayi	20S proteasome alpha5 subunit	0.003	0.0517	0.0517
Trypanosoma brucei	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Leishmania major	proteasome alpha 2 subunit, putative	0.003	0.0517	0.0282
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.003	0.0517	0.0517
Echinococcus multilocularis	proteasome subunit alpha type 6	0.003	0.0517	0.0517
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.003	0.0517	0.0517
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.003	0.0517	0.0517
Plasmodium falciparum	proteasome subunit alpha type-7, putative	0.003	0.0517	0.0282
Echinococcus granulosus	proteasome subunit alpha type 6	0.003	0.0517	0.0517
Echinococcus granulosus	subfamily T1A non peptidase ue	0.003	0.0517	0.0517
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0241	0.0241
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.003	0.0517	0.0517
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.003	0.0517	0.0517
Brugia malayi	Proteasome A-type and B-type family protein	0.003	0.0517	0.0517
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.003	0.0517	0.0517
Echinococcus multilocularis	proteasome subunit beta type 6	0.003	0.0517	0.0517
Echinococcus granulosus	20S proteasome subunit alpha 6	0.003	0.0517	0.0517
Onchocerca volvulus	Notchless protein homolog	0.003	0.0517	0.5
Plasmodium vivax	proteasome subunit alpha type-2, putative	0.003	0.0517	0.0282
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.003	0.0517	0.0517
Plasmodium vivax	proteasome subunit beta type-2, putative	0.003	0.0517	0.0282
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.003	0.0517	0.0517
Toxoplasma gondii	proteasome subunit beta type, putative	0.0393	1	1
Plasmodium vivax	proteasome subunit beta type-7, putative	0.003	0.0517	0.0282
Leishmania major	proteasome beta 5 subunit, putative	0.0393	1	1
Echinococcus granulosus	proteasome subunit beta t family	0.003	0.0517	0.0517
Echinococcus granulosus	Proteasome subunit alpha beta	0.003	0.0517	0.0517
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0393	1	1
Brugia malayi	proteasome subunit alpha type 1	0.003	0.0517	0.0517
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.003	0.0517	0.0282
Toxoplasma gondii	20S proteasome subunit beta 7, putative	0.003	0.0517	0.0282
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.003	0.0517	0.0517
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0241	0.0241
Plasmodium vivax	proteasome subunit beta type-1, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.003	0.0517	0.0282
Trypanosoma brucei	proteasome beta 6 subunit	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome subunit alpha1, putative	0.003	0.0517	0.0282
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.003	0.0517	0.0517
Toxoplasma gondii	proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative	0.003	0.0517	0.0282
Brugia malayi	proteasome subunit alpha type 3	0.003	0.0517	0.0517
Plasmodium vivax	proteasome subunit alpha type-4, putative	0.003	0.0517	0.0282
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.003	0.0517	0.0282
Plasmodium vivax	proteasome subunit beta type-6, putative	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome subunit alpha type, putative	0.003	0.0517	0.0282
Echinococcus granulosus	Proteasome subunit alpha type 7	0.003	0.0517	0.0517
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.003	0.0517	0.0282
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.003	0.0517	0.0282
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0393	1	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0241	0.0241
Plasmodium falciparum	proteasome subunit beta type-7, putative	0.003	0.0517	0.0282
Brugia malayi	Proteasome A-type and B-type family protein	0.003	0.0517	0.0517
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.003	0.0517	0.0517
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.003	0.0517	0.0282
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.003	0.0517	0.0517
Trypanosoma cruzi	hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B	0.003	0.0517	0.0282
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.003	0.0517	0.0517
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0393	1	1
Plasmodium vivax	proteasome subunit alpha type-5, putative	0.003	0.0517	0.0282
Plasmodium vivax	proteasome subunit beta type-3, putative	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0393	1	1
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0393	1	1
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.003	0.0517	0.0517
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0241	0.0241
Plasmodium vivax	proteasome subunit beta type-4, putative	0.003	0.0517	0.0282
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0241	0.0241
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.003	0.0517	0.0517
Trypanosoma brucei	Proteasome subunit A N-terminal signature/Proteasome subunit, putative	0.003	0.0517	0.0282
Brugia malayi	proteasome subunit beta type 1	0.003	0.0517	0.0517
Plasmodium vivax	proteasome subunit alpha type-3, putative	0.003	0.0517	0.0282
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.003	0.0517	0.0517
Trypanosoma brucei	proteasome alpha 7 subunit	0.003	0.0517	0.0282
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.003	0.0517	0.0282
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0241	0.0241
Trypanosoma brucei	ATP-dependent protease subunit HslV	0.003	0.0517	0.0282
Trypanosoma cruzi	ATP-dependent protease subunit HslV, putative	0.003	0.0517	0.0282
Echinococcus granulosus	proteasome prosome macropain	0.0393	1	1
Loa Loa (eye worm)	proteasome subunit beta type 1	0.003	0.0517	0.0517
Plasmodium falciparum	proteasome subunit beta type-4	0.003	0.0517	0.0282
Toxoplasma gondii	proteasome beta subunit	0.003	0.0517	0.0282
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0393	1	1
Echinococcus granulosus	proteasome subunit alpha type 2	0.003	0.0517	0.0517
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.003	0.0517	0.0517

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1899255

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1586327