Detailed information for compound 1620902

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1218.62 | Formula: C62H107N17O8
  • H donors: 5 H acceptors: 12 LogP: 6.86 Rotable bonds: 52
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCCCc1nnn(c1)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1nnc(c1)C[C@H](O)C)[C@@H](CC)C
  • InChi: 1S/C62H107N17O8/c1-5-41-85-43-45-87-46-44-86-42-32-66-60-67-61(76-37-33-74(34-38-76)56(82)27-21-15-11-7-9-13-17-24-30-64-55(81)50-78-48-54(71-72-78)47-52(4)80)69-62(68-60)77-39-35-75(36-40-77)57(83)28-22-16-12-8-10-14-18-25-31-65-59(84)58(51(3)6-2)79-49-53(70-73-79)26-20-19-23-29-63/h1,48-49,51-52,58,80H,6-47,50,63H2,2-4H3,(H,64,81)(H,65,84)(H,66,67,68,69)/t51-,52-,58-/m1/s1
  • InChiKey: NXHREJOELHCNID-QDXDSQALSA-N  


Substructure search Similarity search

Network

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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 transmembrane protease, serine 15 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references
Mus musculus B cell leukemia/lymphoma 2 related protein A1a Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Isocitrate dehydrogenase 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans N terminus of cytosolic NADP-specific 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni 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
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) 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
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii 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
Candida albicans Mitochondrial NADP-specific 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
Trypanosoma brucei isocitrate dehydrogenase, 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
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Leishmania donovani 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 ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi isocitrate dehydrogenase, 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum ubiquitin-conjugating enzyme E2, putative _UBC13, UbcH-ben, UbcH13 152 aa 153 aa 32.0 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.1697 0.222
Schistosoma mansoni hypothetical protein 0.01 0.4521 0.4521
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.1623 0.9381
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0505 0.2411
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1623 0.9381
Loa Loa (eye worm) hypothetical protein 0.0019 0.0303 0.0108
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6834 1
Schistosoma mansoni hypothetical protein 0.0043 0.156 0.156
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.01 0.4521 0.4521
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0284 0.008
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1623 0.9381
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0283 0.0077
Loa Loa (eye worm) hypothetical protein 0.0041 0.144 0.183
Schistosoma mansoni hypothetical protein 0.0019 0.0283 0.0283
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0505 0.1566
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2437 0.3341
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.1697 0.1697
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.1697 0.1697
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0505 0.2411
Loa Loa (eye worm) hypothetical protein 0.0045 0.1623 0.2108
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0284 0.0284
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1623 0.9478
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.01 0.4521 0.4521
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0283 0.0077
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0284 0.0284
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.1697 0.222
Onchocerca volvulus 0.0019 0.0303 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0505 0.0505
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0505 0.0505
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0879 0.479
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.01 0.4521 0.4521
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1623 0.1623
Entamoeba histolytica hypothetical protein 0.0043 0.156 0.8849
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0879 0.4209
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0505 0.0415
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1623 0.953
Schistosoma mansoni hypothetical protein 0.0041 0.144 0.144
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0505 0.1566
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0879 0.4209
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.144 0.183
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1623 0.1623
Loa Loa (eye worm) apoptosis regulator protein 0.01 0.4521 0.6497
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.1623 0.1623
Schistosoma mansoni apoptosis regulator bax 0.01 0.4521 0.4521
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1623 0.9381
Loa Loa (eye worm) hypothetical protein 0.0023 0.0505 0.0415
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.01 0.4521 0.4521
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0284 0.1003
Loa Loa (eye worm) hypothetical protein 0.0019 0.0283 0.0077
Echinococcus granulosus GPCR family 2 0.0019 0.0283 0.0283
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.1697 1
Echinococcus granulosus MAM 0.0019 0.0303 0.0303
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0283 0.0283
Brugia malayi Protein kinase domain containing protein 0.0019 0.0303 0.0108
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0879 0.4209
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0284 0.0284
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0505 0.0415
Entamoeba histolytica hypothetical protein 0.0043 0.156 0.8849
Trypanosoma brucei unspecified product 0.0023 0.0505 0.2411
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0505 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.1697 1
Echinococcus multilocularis MAM 0.0019 0.0303 0.0303
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.1623 0.1623
Schistosoma mansoni hypothetical protein 0.0019 0.0303 0.0303
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0505 0.1566
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.1623 0.2108
Brugia malayi hypothetical protein 0.0043 0.156 0.2012
Schistosoma mansoni hypothetical protein 0.0019 0.0283 0.0283
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0505 0.1566
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0505 0.1566
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0879 0.4209
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.1697 0.222
Loa Loa (eye worm) hypothetical protein 0.01 0.4521 0.6497
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.1697 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.1697 1
Schistosoma mansoni hypothetical protein 0.01 0.4521 0.4521
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0505 0.2411
Leishmania major hypothetical protein, conserved 0.003 0.0879 0.4209
Schistosoma mansoni hypothetical protein 0.0019 0.0283 0.0283
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1623 0.9478
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.1623 1
Schistosoma mansoni hypothetical protein 0.01 0.4521 0.4521
Loa Loa (eye worm) hypothetical protein 0.0019 0.0303 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0505 0.0415
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.1697 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0303 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0505 0.2411
Loa Loa (eye worm) hypothetical protein 0.006 0.2437 0.3341
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.01 0.4521 0.6497
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.1697 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.1697 0.222
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.1623 0.1623
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0284 0.0284
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.01 0.4521 0.4521
Schistosoma mansoni DNA polymerase eta 0.0023 0.0505 0.0505
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.1697 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0283 0.0283
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0283 0.0283
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0284 0.1003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0284 0.0284
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.156 0.156
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0284 0.0284
Leishmania major DNA polymerase eta, putative 0.0023 0.0505 0.1566
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.156 0.156
Leishmania major DNA polymerase kappa, putative 0.0023 0.0505 0.1566
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2437 0.3341
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1623 0.1623
Schistosoma mansoni hypothetical protein 0.0019 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.003 0.0879 0.0981
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0879 0.4209
Brugia malayi MH2 domain containing protein 0.0144 0.6834 1
Onchocerca volvulus 0.0019 0.0303 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0505 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.0505 0.0505
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.156 0.156
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0505 0.1566
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.1697 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0879 0.4209
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0505 0.0505
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.1697 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0505 0.0505
Echinococcus multilocularis dna polymerase eta 0.0023 0.0505 0.0505
Loa Loa (eye worm) TK/ALK protein kinase 0.0019 0.0303 0.0108
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0505 1
Entamoeba histolytica hypothetical protein 0.0043 0.156 0.8849
Entamoeba histolytica hypothetical protein 0.0043 0.156 0.8849
Brugia malayi hypothetical protein 0.003 0.0879 0.0981
Brugia malayi hypothetical protein 0.0019 0.0303 0.0108
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0283 0.0283
Brugia malayi isocitrate dehydrogenase 0.0019 0.0284 0.008
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.1697 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0284 0.0284
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0505 0.0505
Schistosoma mansoni hypothetical protein 0.0018 0.0232 0.0232
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.1697 0.1697
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0284 0.008
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1623 0.1623
Schistosoma mansoni hypothetical protein 0.0019 0.0283 0.0283
Echinococcus granulosus dna polymerase eta 0.0023 0.0505 0.0505
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.1623 0.9478
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0505 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0283 0.0077
Brugia malayi hypothetical protein 0.002 0.0314 0.0125
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2437 0.3341
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.1623 0.1623
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6834 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0283 0.0283
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0505 0.2411

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 54.688 uM PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442] ChEMBL. No reference
EC50 (functional) > 54.688 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dose response assay to identify activators of insulin-degrading enzyme (IDE). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681] ChEMBL. No reference
EC50 (functional) > 55.924 uM PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay to identify fluorescent artifacts and/or optically active compounds. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681] ChEMBL. No reference
IC50 (functional) = 4.773 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155] ChEMBL. No reference
IC50 (functional) = 9.149 uM PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE): fluorescence-based cell-based high throughput dose response LDH release assay to identify compounds that are cytotoxic to HEK cells or compromise cell membrane permeability. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681] ChEMBL. No reference
IC50 (functional) = 10.567 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
IC50 (functional) = 18.5 uM PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343] ChEMBL. No reference
IC50 (functional) = 38.4 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of Inhibitors of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
Potency (functional) 0.6513 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: CHOP2 Reporter Counterscreen Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) 10 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) 11.6681 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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 ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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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