Detailed information for compound 1586327

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  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis NADP dependent 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
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 C terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Candida albicans Mitochondrial NADP-specific 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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 [NADP], mitochondrial precursor, 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
Theileria parva isocitrate dehydrogenase (NADP+), putative 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
Brugia malayi Isocitrate dehydrogenase 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Brugia malayi isocitrate dehydrogenase 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Neospora caninum hypothetical protein 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis 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
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

No literature references available for this target.

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