Detailed information for compound 1529634

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 702.282 | Formula: C39H48ClN5O5
  • H donors: 2 H acceptors: 4 LogP: 5.29 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@]12N(CCc3c2[nH]c2c3cc(cc2)Cl)C(=O)[C@H](C[C@@H]1C(=O)N1CCN(CC1)C(=O)c1ccco1)CC(=O)NC/C=C(/CCC=C(C)C)\C
  • InChi: 1S/C39H48ClN5O5/c1-5-39-31(37(48)43-17-19-44(20-18-43)38(49)33-10-7-21-50-33)22-27(23-34(46)41-15-13-26(4)9-6-8-25(2)3)36(47)45(39)16-14-29-30-24-28(40)11-12-32(30)42-35(29)39/h7-8,10-13,21,24,27,31,42H,5-6,9,14-20,22-23H2,1-4H3,(H,41,46)/b26-13+/t27-,31-,39+/m1/s1
  • InChiKey: ZFPXSKYTPSVCJF-OXMPWMPJSA-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
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi isocitrate dehydrogenase, 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
Leishmania donovani 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 mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Brugia malayi 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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 falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Candida albicans cytosolic 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
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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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 braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Loa Loa (eye worm) isocitrate dehydrogenase 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 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Echinococcus multilocularis 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
Schistosoma mansoni NADP-specific 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
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
Trypanosoma brucei 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, 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 Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tubulin subunit alpha 0.0031 0.0363 0.0363
Schistosoma mansoni tubulin subunit beta 0.0079 0.1867 0.1867
Echinococcus multilocularis Tubulin beta 2C chain 0.0079 0.1867 0.3231
Brugia malayi PAS domain containing protein 0.0063 0.1382 0.4397
Loa Loa (eye worm) tubulin gamma chain 0.0031 0.0363 0.0993
Schistosoma mansoni peroxidasin 0.0054 0.1087 0.1087
Plasmodium falciparum tubulin gamma chain 0.0031 0.0363 0.1946
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Loa Loa (eye worm) tubulin beta-2A chain 0.0079 0.1867 0.5104
Echinococcus granulosus Tubulin alpha 1 chain 0.0031 0.0363 0.0629
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Onchocerca volvulus Peroxidase homolog 0.0054 0.1087 0.0726
Brugia malayi aryl hydrocarbon receptor AHR-1 0.012 0.3144 1
Trypanosoma brucei alpha tubulin 0.0031 0.0363 0.1946
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Echinococcus multilocularis tubulin alpha chain 0.0031 0.0363 0.0629
Brugia malayi bHLH-PAS transcription factor 0.0047 0.0869 0.2763
Trypanosoma brucei alpha tubulin 0.0031 0.0363 0.1946
Echinococcus granulosus peroxidasin 0.0054 0.1087 0.1881
Trichomonas vaginalis tubulin epsilon chain, putative 0.0079 0.1867 1
Echinococcus multilocularis tubulin epsilon chain 0.0031 0.0363 0.0629
Leishmania major beta tubulin 0.0079 0.1867 1
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0148 0.4005 0.6933
Trichomonas vaginalis tubulin gamma chain, putative 0.0079 0.1867 1
Schistosoma mansoni single-minded 0.0063 0.1382 0.1382
Echinococcus granulosus geminin 0.0205 0.5777 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0031 0.0363 0.0629
Trypanosoma brucei epsilon tubulin 0.0031 0.0363 0.1946
Echinococcus multilocularis transfer RNA-Lys 0.0047 0.0869 0.1504
Echinococcus multilocularis peroxisome assembly protein 26 0.0031 0.0363 0.0629
Loa Loa (eye worm) animal heme peroxidase 0.0054 0.1087 0.2972
Entamoeba histolytica hypothetical protein 0.011 0.2838 1
Brugia malayi Animal haem peroxidase family protein 0.0054 0.1087 0.3457
Schistosoma mansoni tubulin subunit beta 0.0079 0.1867 0.1867
Echinococcus multilocularis tubulin alpha 3 chain 0.0031 0.0363 0.0629
Echinococcus multilocularis Tubulin beta 2C chain 0.0079 0.1867 0.3231
Echinococcus multilocularis Tubulin beta 2C chain 0.0079 0.1867 0.3231
Echinococcus multilocularis tubulin subunit TubB 0.0031 0.0363 0.0629
Onchocerca volvulus 0.0137 0.3657 1
Schistosoma mansoni transcription factor LCR-F1 0.011 0.2838 0.2838
Trypanosoma brucei epsilon tubulin 0.0031 0.0363 0.1946
Trypanosoma cruzi tubulin gamma chain 0.0031 0.0363 0.1946
Toxoplasma gondii alpha-tubulin I, putative 0.0031 0.0363 0.1946
Trypanosoma cruzi epsilon tubulin, putative 0.0031 0.0363 0.1946
Schistosoma mansoni alpha tubulin 0.0031 0.0363 0.0363
Schistosoma mansoni alpha tubulin 0.0031 0.0363 0.0363
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.2838 0.4913
Brugia malayi Animal haem peroxidase family protein 0.0054 0.1087 0.3457
Brugia malayi Blistered cuticle protein 3 0.0054 0.1087 0.3457
Loa Loa (eye worm) BEN-1 protein 0.0079 0.1867 0.5104
Schistosoma mansoni tubulin subunit beta 0.0079 0.1867 0.1867
Echinococcus multilocularis tubulin beta 1 chain 0.0079 0.1867 0.3231
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0079 0.1867 0.3231
Onchocerca volvulus 0.0054 0.1087 0.0726
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Entamoeba histolytica tubulin family protein 0.0079 0.1867 0.6075
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0079 0.1867 0.3231
Entamoeba histolytica hypothetical protein 0.011 0.2838 1
Echinococcus granulosus Tubulin beta 2C chain 0.0079 0.1867 0.3231
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Leishmania major epsilon tubulin, putative 0.0031 0.0363 0.1946
Onchocerca volvulus Peroxidasin homolog 0.0054 0.1087 0.0726
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.128 0.4072
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Echinococcus multilocularis aryl hydrocarbon receptor 0.0137 0.3675 0.6361
Entamoeba histolytica hypothetical protein 0.011 0.2838 1
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Loa Loa (eye worm) tubulin beta chain 0.0079 0.1867 0.5104
Schistosoma mansoni hypothetical protein 0.0205 0.5777 0.5777
Brugia malayi hypothetical protein 0.011 0.2838 0.9027
Echinococcus granulosus tubulin alpha 0.0031 0.0363 0.0629
Loa Loa (eye worm) hypothetical protein 0.0031 0.0363 0.0993
Loa Loa (eye worm) animal heme peroxidase 0.0054 0.1087 0.2972
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Loa Loa (eye worm) BEN-1 protein 0.0079 0.1867 0.5104
Echinococcus granulosus tubulin subunit beta 0.0079 0.1867 0.3231
Schistosoma mansoni tubulin subunit gamma 0.0031 0.0363 0.0363
Trypanosoma cruzi alpha tubulin, putative 0.0031 0.0363 0.1946
Brugia malayi Animal haem peroxidase family protein 0.0054 0.1087 0.3457
Echinococcus granulosus tubulin alpha chain 0.0031 0.0363 0.0629
Echinococcus multilocularis Tubulin beta 2C chain 0.0079 0.1867 0.3231
Schistosoma mansoni tubulin subunit alpha 0.0031 0.0363 0.0363
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus multilocularis beta tubulin 0.0079 0.1867 0.3231
Echinococcus granulosus tubulin alpha chain 0.0031 0.0363 0.0629
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus beta tubulin 0.0079 0.1867 0.3231
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Schistosoma mansoni hypothetical protein 0.011 0.2838 0.2838
Plasmodium falciparum alpha tubulin 1 0.0031 0.0363 0.1946
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Loa Loa (eye worm) hypothetical protein 0.0137 0.3657 1
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Giardia lamblia Beta tubulin 0.0079 0.1867 1
Echinococcus granulosus tubulin alpha 1C chain 0.0031 0.0363 0.0629
Plasmodium vivax tubulin epsilon chain, putative 0.0031 0.0363 0.1946
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Leishmania major beta tubulin 0.0079 0.1867 1
Trypanosoma brucei tubulin gamma chain 0.0031 0.0363 0.1946
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Echinococcus multilocularis Tubulin alpha 1 chain 0.0031 0.0363 0.0629
Schistosoma mansoni tubulin subunit beta 0.0079 0.1867 0.1867
Brugia malayi tubulin alpha-2 chain 0.0031 0.0363 0.1155
Trypanosoma brucei alpha tubulin 0.0031 0.0363 0.1946
Echinococcus granulosus tubulin alpha 1C chain 0.0031 0.0363 0.0629
Plasmodium vivax tubulin beta chain, putative 0.0079 0.1867 1
Leishmania major beta tubulin 0.0079 0.1867 1
Schistosoma mansoni hypothetical protein 0.0205 0.5777 0.5777
Schistosoma mansoni tubulin subunit beta 0.0079 0.1867 0.1867
Echinococcus granulosus Tubulin beta 2C chain 0.0079 0.1867 0.3231
Entamoeba histolytica hypothetical protein 0.011 0.2838 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0031 0.0363 0.0629
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.128 0.4072
Plasmodium falciparum tubulin epsilon chain, putative 0.0031 0.0363 0.1946
Trichomonas vaginalis tubulin, putative 0.0079 0.1867 1
Onchocerca volvulus Peroxidase homolog 0.0054 0.1087 0.0726
Echinococcus multilocularis tubulin subunit beta 0.0079 0.1867 0.3231
Echinococcus granulosus alpha tubulin 0.0031 0.0363 0.0629
Echinococcus granulosus Tubulin alpha 1 chain 0.0031 0.0363 0.0629
Loa Loa (eye worm) animal heme peroxidase 0.0054 0.1087 0.2972
Echinococcus granulosus tubulin beta 1 chain 0.0079 0.1867 0.3231
Trypanosoma cruzi epsilon tubulin, putative 0.0031 0.0363 0.1946
Schistosoma mansoni alpha tubulin 0.0031 0.0363 0.0363
Schistosoma mansoni hypothetical protein 0.0041 0.0687 0.0687
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0687 0.2186
Schistosoma mansoni tubulin subunit epsilon 0.0031 0.0363 0.0363
Brugia malayi beta-tubulin, identical 0.0079 0.1867 0.5937
Plasmodium falciparum tubulin beta chain 0.0079 0.1867 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0184 0.5137 0.5137
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Echinococcus multilocularis tubulin alpha chain 0.0031 0.0363 0.0629
Loa Loa (eye worm) tubulin alpha chain 0.0031 0.0363 0.0993
Toxoplasma gondii beta tubulin 0.0079 0.1867 1
Onchocerca volvulus 0.0054 0.1087 0.0726
Echinococcus multilocularis Tubulin alpha 1 chain 0.0031 0.0363 0.0629
Leishmania major gamma-tubulin 0.0031 0.0363 0.1946
Brugia malayi Tubulin beta-1 chain 0.0079 0.1867 0.5937
Echinococcus granulosus Tubulin beta 2C chain 0.0079 0.1867 0.3231
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Trypanosoma brucei epsilon tubulin 0.0031 0.0363 0.1946
Echinococcus granulosus tubulin epsilon chain 0.0031 0.0363 0.0629
Leishmania major beta tubulin 0.0079 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.012 0.3144 0.8596
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus tubulin subunit TubB 0.0031 0.0363 0.0629
Echinococcus multilocularis tubulin alpha chain 0.0031 0.0363 0.0629
Trypanosoma brucei beta tubulin 0.0079 0.1867 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.128 0.35
Trichomonas vaginalis tubulin alpha chain, putative 0.0079 0.1867 1
Onchocerca volvulus Peroxidasin homolog 0.0054 0.1087 0.0726
Trypanosoma brucei beta tubulin 0.0079 0.1867 1
Loa Loa (eye worm) tubulin alpha chain 0.0031 0.0363 0.0993
Loa Loa (eye worm) animal heme peroxidase 0.0054 0.1087 0.2972
Leishmania major beta tubulin 0.0079 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Echinococcus granulosus tubulin gamma 1 chain 0.0031 0.0363 0.0629
Loa Loa (eye worm) tubulin beta-4 chain 0.0079 0.1867 0.5104
Leishmania major beta tubulin 0.0079 0.1867 1
Leishmania major beta tubulin 0.0079 0.1867 1
Schistosoma mansoni tubulin subunit beta 0.0079 0.1867 0.1867
Echinococcus multilocularis beta tubulin 0.0079 0.1867 0.3231
Echinococcus granulosus tubulin alpha chain 0.0031 0.0363 0.0629
Echinococcus granulosus Tubulin beta 2C chain 0.0079 0.1867 0.3231
Giardia lamblia Beta tubulin 0.0079 0.1867 1
Echinococcus granulosus tubulin alpha chain 0.0031 0.0363 0.0629
Loa Loa (eye worm) blistered cuticle protein 3 0.0054 0.1087 0.2972
Loa Loa (eye worm) beta-tubulin 0.0079 0.1867 0.5104
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Echinococcus granulosus tubulin alpha chain 0.0031 0.0363 0.0629
Echinococcus granulosus beta tubulin 0.0079 0.1867 0.3231
Brugia malayi Animal haem peroxidase family protein 0.0054 0.1087 0.3457
Toxoplasma gondii beta-tubulin, putative 0.0079 0.1867 1
Brugia malayi hypothetical protein 0.0054 0.1087 0.3457
Echinococcus multilocularis peroxidasin 0.0054 0.1087 0.1881
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.2838 0.4913
Loa Loa (eye worm) hypothetical protein 0.006 0.128 0.35
Brugia malayi Animal haem peroxidase family protein 0.0054 0.1087 0.3457
Echinococcus granulosus aryl hydrocarbon receptor 0.0137 0.3675 0.6361
Brugia malayi Tubulin alpha-2 chain 0.0031 0.0363 0.1155
Brugia malayi alpha-tubulin 0.0031 0.0363 0.1155
Echinococcus multilocularis hypothetical protein 0.0031 0.0363 0.0629
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Echinococcus multilocularis Tubulin alpha 1 chain 0.0031 0.0363 0.0629
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0031 0.0363 0.1946
Echinococcus granulosus single minded 2 0.0047 0.0869 0.1504
Echinococcus multilocularis tubulin alpha chain 0.0031 0.0363 0.0629
Loa Loa (eye worm) hypothetical protein 0.0041 0.0687 0.1879
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus Tubulin beta 2C chain 0.0079 0.1867 0.3231
Loa Loa (eye worm) alpha-tubulin 0.0031 0.0363 0.0993
Schistosoma mansoni tubulin subunit alpha 0.0031 0.0363 0.0363
Plasmodium vivax tubulin gamma chain, putative 0.0031 0.0363 0.1946
Echinococcus multilocularis tubulin alpha 0.0031 0.0363 0.0629
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Trypanosoma brucei beta tubulin 0.0079 0.1867 1
Toxoplasma gondii alpha tubulin TUBA1 0.0031 0.0363 0.1946
Trypanosoma brucei beta tubulin 0.0031 0.0363 0.1946
Giardia lamblia Beta tubulin 0.0079 0.1867 1
Trypanosoma cruzi beta tubulin, putative 0.0079 0.1867 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0148 0.4005 0.6933
Schistosoma mansoni peroxidasin 0.0054 0.1087 0.1087
Trypanosoma brucei beta tubulin 0.0079 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Mycobacterium ulcerans putative regulatory protein 0.0047 0.0869 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0079 0.1867 1
Leishmania major beta tubulin 0.0079 0.1867 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0031 0.0363 0.0993
Plasmodium falciparum alpha tubulin 2 0.0031 0.0363 0.1946
Echinococcus multilocularis tubulin gamma 1 chain 0.0031 0.0363 0.0629
Echinococcus multilocularis tubulin alpha 1C chain 0.0031 0.0363 0.0629
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Brugia malayi Tubulin gamma chain 0.0031 0.0363 0.1155
Loa Loa (eye worm) alpha-tubulin 0.0031 0.0363 0.0993
Trypanosoma brucei alpha tubulin 0.0031 0.0363 0.1946
Echinococcus multilocularis tubulin alpha 1C chain 0.0031 0.0363 0.0629
Echinococcus granulosus tubulin alpha 3 chain 0.0031 0.0363 0.0629
Brugia malayi Tubulin alpha-2 chain 0.0031 0.0363 0.1155
Onchocerca volvulus 0.0054 0.1087 0.0726
Plasmodium vivax tubulin alpha chain, putative 0.0031 0.0363 0.1946
Onchocerca volvulus Dual oxidase homolog 0.0054 0.1087 0.0726
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Brugia malayi tubulin alpha chain - mouse 0.0031 0.0363 0.1155
Echinococcus multilocularis tubulin alpha chain 0.0031 0.0363 0.0629
Plasmodium vivax tubulin alpha chain, putative 0.0031 0.0363 0.1946
Entamoeba histolytica tubulin family protein 0.0079 0.1867 0.6075
Leishmania major beta tubulin 0.0079 0.1867 1
Echinococcus granulosus tubulin alpha 3 chain 0.0031 0.0363 0.0629
Toxoplasma gondii beta-1 tubulin, putative 0.0079 0.1867 1
Brugia malayi Peroxidasin 0.0054 0.1087 0.3457
Echinococcus multilocularis Tubulin beta 2C chain 0.0079 0.1867 0.3231
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Leishmania major alpha tubulin 0.0031 0.0363 0.1946
Loa Loa (eye worm) hypothetical protein 0.0054 0.1087 0.2972
Brugia malayi Tubulin alpha chain 0.0031 0.0363 0.1155
Loa Loa (eye worm) tubulin beta-1 chain 0.0079 0.1867 0.5104
Onchocerca volvulus Chorion peroxidase homolog 0.0054 0.1087 0.0726
Echinococcus multilocularis geminin 0.0205 0.5777 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.3161 0.8642
Leishmania major beta tubulin 0.0079 0.1867 1
Leishmania major beta tubulin 0.0079 0.1867 1
Trichomonas vaginalis tubulin beta chain, putative 0.0079 0.1867 1
Echinococcus granulosus peroxisome assembly protein 26 0.0031 0.0363 0.0629

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5131 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) 10 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: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) 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) 23.0999 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) 28.1838 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) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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