Detailed information for compound 1374134

Basic information

Technical information
  • TDR Targets ID: 1374134
  • Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methyli ndol-3-yl)ethane-1,2-dione
  • MW: 318.369 | Formula: C20H18N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)c1cn(c2c1cccc2)C)N1CCCc2c1cccc2
  • InChi: 1S/C20H18N2O2/c1-21-13-16(15-9-3-5-11-18(15)21)19(23)20(24)22-12-6-8-14-7-2-4-10-17(14)22/h2-5,7,9-11,13H,6,8,12H2,1H3
  • InChiKey: FKFMXRRJFGMUEQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methyl-3-indolyl)ethane-1,2-dione
  • 1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-methyl-1H-indol-3-yl)-ethane-1,2-dione
  • BAS 13090491
  • A3577/0151854
  • ZINC04414670
  • MLS000719118
  • SMR000291386

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase, 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
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
Candida albicans 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 Mitochondrial NADP-specific isocitrate dehydrogenase 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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Loa Loa (eye worm) 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
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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis tubulin subunit TubB 0.0033 0.1025 0.1025
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.1025 0.6577
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2926 0.2926
Loa Loa (eye worm) hypothetical protein 0.0019 0.0405 0.0405
Trichomonas vaginalis cyclins, putative 0.0018 0.037 0.2207
Trichomonas vaginalis cyclins, putative 0.0044 0.1492 0.9689
Echinococcus granulosus tubulin subunit beta 0.0025 0.0653 0.0653
Trichomonas vaginalis cyclins, putative 0.0044 0.1492 0.9689
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.1538 0.1538
Schistosoma mansoni tubulin subunit gamma 0.0025 0.0653 0.0653
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.1025 0.6577
Echinococcus multilocularis cyclin B3 1 0.0018 0.037 0.037
Brugia malayi Tubulin beta-1 chain 0.0025 0.0653 0.0653
Trichomonas vaginalis cyclin B, putative 0.0044 0.1492 0.9689
Brugia malayi Cyclin, N-terminal domain containing protein 0.0018 0.037 0.037
Loa Loa (eye worm) tubulin beta chain 0.0025 0.0653 0.0653
Echinococcus granulosus tubulin alpha chain 0.0033 0.1025 0.1025
Echinococcus multilocularis tubulin alpha 0.0025 0.0653 0.0653
Loa Loa (eye worm) hypothetical protein 0.006 0.221 0.221
Giardia lamblia Alpha-tubulin 0.0033 0.1025 0.6577
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.1538 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.1025 0.6577
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0238 1 1
Brugia malayi alpha-tubulin 0.0033 0.1025 0.1025
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0019 0.0412 0.2483
Trichomonas vaginalis tubulin alpha chain, putative 0.0014 0.0182 0.0952
Plasmodium vivax tubulin alpha chain, putative 0.0033 0.1025 0.6577
Trypanosoma cruzi cyclin 6, putative 0.0044 0.1492 0.9689
Plasmodium falciparum alpha tubulin 1 0.0033 0.1025 0.6577
Trypanosoma cruzi cyclin, putative 0.0044 0.1492 0.9689
Schistosoma mansoni unc-13 (munc13) 0.001 0.0012 0.0012
Loa Loa (eye worm) tubulin beta chain 0.0011 0.004 0.004
Trypanosoma brucei alpha tubulin 0.0033 0.1025 0.6577
Trypanosoma brucei alpha tubulin 0.0033 0.1025 0.6577
Entamoeba histolytica tubulin family protein 0.0025 0.0653 0.2421
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Trichomonas vaginalis tubulin gamma chain, putative 0.0025 0.0653 0.4094
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus cyclin dependent kinase 1 0.0045 0.1538 0.1538
Loa Loa (eye worm) tubulin alpha chain 0.0033 0.1025 0.1025
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus multilocularis tubulin gamma 1 chain 0.0025 0.0653 0.0653
Trichomonas vaginalis cyclin B, putative 0.0044 0.1492 0.9689
Echinococcus granulosus raf serine:threonine protein kinase 0.0224 0.9402 0.9402
Brugia malayi Cell division protein ftsZ 0.0011 0.004 0.004
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0406 0.0406
Loa Loa (eye worm) tubulin gamma chain 0.0025 0.0653 0.0653
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0406 0.0406
Onchocerca volvulus 0.0182 0.7576 1
Schistosoma mansoni hypothetical protein 0.0205 0.8548 0.8548
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2926 0.2926
Leishmania major epsilon tubulin, putative 0.0025 0.0653 0.4094
Schistosoma mansoni cyclin B 0.0044 0.1492 0.1492
Trypanosoma brucei alpha tubulin 0.0033 0.1025 0.6577
Echinococcus granulosus tubulin delta chain 0.0011 0.004 0.004
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2926 0.2926
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Plasmodium falciparum tubulin beta chain 0.0025 0.0653 0.4094
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0653 0.0653
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.1025 0.6577
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Schistosoma mansoni tubulin subunit beta 0.0025 0.0653 0.0653
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0405 0.0405
Trichomonas vaginalis cyclin A, putative 0.0044 0.1492 0.9689
Echinococcus multilocularis tubulin alpha 1C chain 0.0033 0.1025 0.1025
Loa Loa (eye worm) hypothetical protein 0.0041 0.1375 0.1375
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Giardia lamblia Gamma tubulin 0.0025 0.0653 0.4094
Trypanosoma brucei tubulin gamma chain 0.0025 0.0653 0.4094
Loa Loa (eye worm) tubulin beta-1 chain 0.0025 0.0653 0.0653
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2926 0.2926
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0406 0.2445
Schistosoma mansoni tubulin subunit beta 0.0011 0.004 0.004
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0033 0.1025 0.6577
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.221 0.221
Echinococcus multilocularis tubulin alpha 3 chain 0.0033 0.1025 0.1025
Echinococcus multilocularis tubulin alpha chain 0.0033 0.1025 0.1025
Schistosoma mansoni hypothetical protein 0.0019 0.0405 0.0405
Loa Loa (eye worm) BEN-1 protein 0.0025 0.0653 0.0653
Echinococcus granulosus tar DNA binding protein 0.0076 0.2926 0.2926
Trichomonas vaginalis tubulin alpha chain, putative 0.0014 0.0182 0.0952
Trichomonas vaginalis tubulin epsilon chain, putative 0.0025 0.0653 0.4094
Schistosoma mansoni serine/threonine protein kinase 0.0238 1 1
Echinococcus multilocularis tubulin alpha chain 0.0033 0.1025 0.1025
Entamoeba histolytica tubulin family protein 0.0025 0.0653 0.2421
Echinococcus multilocularis tubulin epsilon chain 0.0025 0.0653 0.0653
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0405 0.0405
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0022 0.0554 0.3435
Echinococcus granulosus tubulin alpha 1C chain 0.0033 0.1025 0.1025
Loa Loa (eye worm) tubulin beta-2A chain 0.0025 0.0653 0.0653
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.1025 0.6577
Trichomonas vaginalis tubulin epsilon chain, putative 0.0025 0.0653 0.4094
Schistosoma mansoni hypothetical protein 0.0019 0.0405 0.0405
Echinococcus multilocularis hypothetical protein 0.0033 0.1025 0.1025
Brugia malayi tubulin alpha-2 chain 0.0033 0.1025 0.1025
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.221 0.221
Echinococcus multilocularis Tubulin alpha 1 chain 0.0033 0.1025 0.1025
Trypanosoma brucei epsilon tubulin 0.0025 0.0653 0.4094
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2926 0.2926
Echinococcus granulosus tyrosine protein kinase Lyn 0.0011 0.0042 0.0042
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Trypanosoma cruzi alpha tubulin, putative 0.0033 0.1025 0.6577
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0653 0.0653
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0653 0.0653
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0406 0.2445
Entamoeba histolytica cyclin, putative 0.0044 0.1492 0.9601
Brugia malayi Tubulin beta chain 0.0011 0.004 0.004
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.1538 0.1538
Trichomonas vaginalis tubulin, putative 0.0014 0.0182 0.0952
Loa Loa (eye worm) tubulin alpha 2 0.0022 0.0554 0.0554
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.1025 0.6577
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0406 0.0406
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Brugia malayi Tubulin gamma chain 0.0025 0.0653 0.0653
Schistosoma mansoni alpha tubulin 0.0033 0.1025 0.1025
Echinococcus multilocularis tubulin beta 1 chain 0.0025 0.0653 0.0653
Schistosoma mansoni tubulin subunit alpha 0.0033 0.1025 0.1025
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.1538 0.1538
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Echinococcus granulosus tubulin beta 4A class IVa 0.0025 0.0653 0.0653
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0018 0.037 0.037
Echinococcus granulosus cyclin dependent kinase 0.0045 0.1538 0.1538
Trypanosoma brucei epsilon tubulin 0.0025 0.0653 0.4094
Schistosoma mansoni cyclins 0.0018 0.037 0.037
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2926 0.2926
Giardia lamblia Beta tubulin 0.0025 0.0653 0.4094
Toxoplasma gondii alpha tubulin TUBA1 0.0033 0.1025 0.6577
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0018 0.037 0.037
Brugia malayi Raf kinase 0.0216 0.9061 0.9061
Echinococcus granulosus cyclin B 0.0044 0.1492 0.1492
Loa Loa (eye worm) hypothetical protein 0.0026 0.069 0.069
Trypanosoma brucei beta tubulin 0.0025 0.0653 0.4094
Plasmodium falciparum protein kinase 5 0.0045 0.1538 1
Mycobacterium leprae cell division protein FtsZ 0.0011 0.004 0.5
Schistosoma mansoni tubulin subunit alpha 0.0033 0.1025 0.1025
Loa Loa (eye worm) beta-tubulin 0.0025 0.0653 0.0653
Echinococcus multilocularis cyclin b3 0.0018 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0044 0.1492 0.1492
Toxoplasma gondii beta-1 tubulin, putative 0.0025 0.0653 0.4094
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Echinococcus granulosus tubulin alpha chain 0.0033 0.1025 0.1025
Giardia lamblia Kinase, CMGC CDK 0.0045 0.1538 1
Trypanosoma cruzi epsilon tubulin, putative 0.0025 0.0653 0.4094
Giardia lamblia Cyclin A 0.0018 0.037 0.2207
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0011 0.004 0.5
Echinococcus multilocularis raf serine:threonine protein kinase 0.0224 0.9402 0.9402
Brugia malayi RNA binding protein 0.0076 0.2926 0.2926
Echinococcus multilocularis cyclin dependent kinase 0.0045 0.1538 0.1538
Plasmodium vivax tubulin epsilon chain, putative 0.0025 0.0653 0.4094
Schistosoma mansoni tubulin subunit beta 0.0025 0.0653 0.0653
Echinococcus multilocularis cyclin B 0.0044 0.1492 0.1492
Trypanosoma brucei beta tubulin 0.0025 0.0653 0.4094
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Schistosoma mansoni tubulin subunit alpha 0.0011 0.004 0.004
Echinococcus multilocularis tubulin alpha 1C chain 0.0033 0.1025 0.1025
Schistosoma mansoni tubulin subunit alpha 0.0033 0.1025 0.1025
Echinococcus multilocularis tubulin alpha chain 0.0033 0.1025 0.1025
Brugia malayi hypothetical protein 0.0182 0.7576 0.7576
Brugia malayi Tubulin beta chain 0.0014 0.0182 0.0182
Echinococcus multilocularis beta tubulin 0.0025 0.0653 0.0653
Trichomonas vaginalis tubulin alpha chain, putative 0.0014 0.0182 0.0952
Echinococcus granulosus peroxisome assembly protein 26 0.0033 0.1025 0.1025
Brugia malayi Tubulin alpha-2 chain 0.0033 0.1025 0.1025
Trypanosoma brucei cdc2-related kinase 3 0.0045 0.1538 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0406 0.0406
Schistosoma mansoni tubulin subunit epsilon 0.0025 0.0653 0.0653
Toxoplasma gondii alpha-tubulin I, putative 0.0033 0.1025 0.6577
Echinococcus granulosus tubulin alpha 0.0025 0.0653 0.0653
Echinococcus granulosus N chimaerin 0.0012 0.008 0.008
Trichomonas vaginalis cyclins, putative 0.0044 0.1492 0.9689
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0012 0.008 0.008
Echinococcus granulosus Tubulin alpha 1 chain 0.0033 0.1025 0.1025
Plasmodium falciparum alpha tubulin 2 0.0033 0.1025 0.6577
Entamoeba histolytica tubulin gamma chain 0.0025 0.0653 0.2421
Trichomonas vaginalis tubulin alpha chain, putative 0.0025 0.0653 0.4094
Onchocerca volvulus 0.0044 0.1492 0.1771
Echinococcus multilocularis tubulin alpha 3 chain 0.0033 0.1025 0.1025
Loa Loa (eye worm) tubulin alpha-3 chain 0.0019 0.0412 0.0412
Plasmodium vivax tubulin alpha chain, putative 0.0033 0.1025 0.6577
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0653 0.0653
Brugia malayi Protein kinase domain containing protein 0.0045 0.1538 0.1538
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1375 0.1375
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0406 0.2445
Toxoplasma gondii hypothetical protein 0.0014 0.0177 0.0916
Brugia malayi cell division control protein 2 homolog 0.0045 0.1538 0.1538
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Loa Loa (eye worm) hypothetical protein 0.0033 0.1025 0.1025
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0406 1
Trichomonas vaginalis cyclin B, putative 0.0044 0.1492 0.9689
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0012 0.008 0.008
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus c-Jun N-terminal kinases 0.0238 1 1
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Trypanosoma brucei cdc2-related kinase 1 0.0045 0.1538 1
Schistosoma mansoni vav2 0.0012 0.008 0.008
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.1538 1
Toxoplasma gondii beta-tubulin, putative 0.0025 0.0653 0.4094
Schistosoma mansoni hypothetical protein 0.0041 0.1375 0.1375
Leishmania major cyclin 0.0044 0.1492 0.9689
Echinococcus granulosus tubulin beta 1 chain 0.0025 0.0653 0.0653
Schistosoma mansoni tubulin subunit beta 0.0025 0.0653 0.0653
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0405 0.0405
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.1538 0.1538
Schistosoma mansoni tubulin subunit beta 0.0025 0.0653 0.0653
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2926 0.2926
Echinococcus multilocularis tubulin delta chain 0.0011 0.004 0.004
Entamoeba histolytica tubulin alpha chain, putative 0.0033 0.1025 0.5607
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0406 0.0406
Echinococcus granulosus cyclins 0.0018 0.037 0.037
Echinococcus granulosus tubulin alpha chain 0.0033 0.1025 0.1025
Giardia lamblia Alpha-tubulin 0.0033 0.1025 0.6577
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0045 0.1538 0.1538
Echinococcus granulosus tubulin gamma 1 chain 0.0025 0.0653 0.0653
Echinococcus multilocularis beta tubulin 0.0025 0.0653 0.0653
Brugia malayi Tubulin alpha chain 0.0011 0.004 0.004
Trichomonas vaginalis cyclin B, putative 0.0018 0.037 0.2207
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0406 0.0406
Trichomonas vaginalis tubulin, putative 0.0025 0.0653 0.4094
Echinococcus multilocularis geminin 0.0205 0.8548 0.8548
Trichomonas vaginalis tubulin gamma chain, putative 0.0025 0.0653 0.4094
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0045 0.1538 1
Schistosoma mansoni serine/threonine protein kinase 0.0224 0.9402 0.9402
Loa Loa (eye worm) RNA binding protein 0.0076 0.2926 0.2926
Brugia malayi Cyclin, N-terminal domain containing protein 0.0044 0.1492 0.1492
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0406 0.0406
Echinococcus multilocularis tubulin subunit beta 0.0025 0.0653 0.0653
Brugia malayi Tubulin alpha-2 chain 0.0033 0.1025 0.1025
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Echinococcus granulosus cyclin dependent kinase 5 0.0045 0.1538 0.1538
Echinococcus granulosus alpha tubulin 0.0033 0.1025 0.1025
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0025 0.0653 0.4094
Loa Loa (eye worm) hypothetical protein 0.0182 0.7576 0.7576
Giardia lamblia Beta tubulin 0.0025 0.0653 0.4094
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1538 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.1538 0.1538
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0653 0.0653
Echinococcus granulosus cyclins 0.0018 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0044 0.1492 0.1492
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0653 0.0653
Schistosoma mansoni hypothetical protein 0.0019 0.0405 0.0405
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.037 0.2207
Echinococcus granulosus cyclins 0.0018 0.037 0.037
Echinococcus granulosus GPCR family 2 0.0019 0.0405 0.0405
Echinococcus granulosus Tubulin alpha 1 chain 0.0033 0.1025 0.1025
Loa Loa (eye worm) BEN-1 protein 0.0025 0.0653 0.0653
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2926 0.2926
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.221 0.221
Trypanosoma cruzi epsilon tubulin, putative 0.0025 0.0653 0.4094
Trichomonas vaginalis tubulin alpha chain, putative 0.0025 0.0653 0.4094
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Plasmodium vivax tubulin gamma chain, putative 0.0025 0.0653 0.4094
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0653 0.0653
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Trichomonas vaginalis cyclin B3, putative 0.0018 0.037 0.2207
Brugia malayi beta-tubulin, identical 0.0025 0.0653 0.0653
Plasmodium vivax tubulin beta chain, putative 0.0025 0.0653 0.4094
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0405 0.0405
Trypanosoma brucei alpha tubulin 0.0033 0.1025 0.6577
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.1538 0.1538
Schistosoma mansoni alpha tubulin 0.0033 0.1025 0.1025
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0406 0.2445
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0653 0.0653
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1538 1
Giardia lamblia Hypothetical protein 0.0018 0.037 0.2207
Echinococcus granulosus cyclin B3 1 0.0018 0.037 0.037
Leishmania major gamma-tubulin 0.0025 0.0653 0.4094
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0406 0.0406
Loa Loa (eye worm) tubulin alpha chain 0.0033 0.1025 0.1025
Schistosoma mansoni tubulin subunit delta 0.0011 0.004 0.004
Echinococcus multilocularis tubulin alpha chain 0.0033 0.1025 0.1025
Schistosoma mansoni cyclin B3 0.0018 0.037 0.037
Schistosoma mansoni alpha tubulin 0.0033 0.1025 0.1025
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.1538 1
Echinococcus granulosus cyclins 0.0018 0.037 0.037
Trichomonas vaginalis cyclin D, putative 0.0018 0.037 0.2207
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0406 0.2445
Loa Loa (eye worm) hypothetical protein 0.0022 0.0554 0.0554
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus multilocularis Tubulin alpha 1 chain 0.0033 0.1025 0.1025
Trypanosoma cruzi cyclin, putative 0.0044 0.1492 0.9689
Trichomonas vaginalis cyclin B, putative 0.0044 0.1492 0.9689
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0406 0.2445
Plasmodium falciparum cyclin 0.0018 0.037 0.2207
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.1538 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0025 0.0653 0.0653
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.1025 0.6577
Brugia malayi RhoGAP domain containing protein 0.0012 0.008 0.008
Entamoeba histolytica tubulin alpha-1 chain 0.0033 0.1025 0.5607
Loa Loa (eye worm) tubulin alpha-2 chain 0.0033 0.1025 0.1025
Echinococcus multilocularis tubulin alpha chain 0.0033 0.1025 0.1025
Trichomonas vaginalis tubulin gamma chain, putative 0.0025 0.0653 0.4094
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0012 0.008 0.008
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Loa Loa (eye worm) cyclin domain-containing protein 0.0018 0.037 0.037
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0405 0.0405
Echinococcus multilocularis GPCR, family 2 0.0019 0.0405 0.0405
Trypanosoma brucei beta tubulin 0.0025 0.0653 0.4094
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0405 0.0405
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus beta tubulin 0.0025 0.0653 0.0653
Giardia lamblia Beta tubulin 0.0025 0.0653 0.4094
Brugia malayi Tubulin alpha chain 0.0033 0.1025 0.1025
Brugia malayi TAR-binding protein 0.0076 0.2926 0.2926
Treponema pallidum cell division protein FtsZ 0.0011 0.004 0.5
Loa Loa (eye worm) tubulin beta-4 chain 0.0025 0.0653 0.0653
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0012 0.008 0.008
Trichomonas vaginalis cyclin D, putative 0.0018 0.037 0.2207
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0406 0.2445
Loa Loa (eye worm) hypothetical protein 0.0019 0.0412 0.0412
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0406 0.2445
Brugia malayi Cyclin, N-terminal domain containing protein 0.0044 0.1492 0.1492
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.1538 1
Loa Loa (eye worm) alpha-tubulin 0.0033 0.1025 0.1025
Schistosoma mansoni hypothetical protein 0.0205 0.8548 0.8548
Trichomonas vaginalis tubulin beta chain, putative 0.0025 0.0653 0.4094
Echinococcus granulosus tubulin alpha 3 chain 0.0033 0.1025 0.1025
Echinococcus granulosus tubulin subunit TubB 0.0033 0.1025 0.1025
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0022 0.0554 0.0554
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2926 0.2926
Trichomonas vaginalis cyclins, putative 0.0044 0.1492 0.9689
Trypanosoma cruzi beta tubulin, putative 0.0025 0.0653 0.4094
Plasmodium falciparum tubulin epsilon chain, putative 0.0025 0.0653 0.4094
Plasmodium vivax protein kinase Crk2 0.0045 0.1538 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0238 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0014 0.0182 0.0952
Mycobacterium ulcerans cell division protein FtsZ 0.0011 0.004 0.5
Trichomonas vaginalis tubulin, putative 0.0014 0.0182 0.0952
Trypanosoma brucei mitotic cyclin 6 0.0044 0.1492 0.9689
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0406 0.0406
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0128 0.5165 0.5165
Trichomonas vaginalis tubulin beta chain, putative 0.0014 0.0182 0.0952
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus tubulin alpha chain 0.0033 0.1025 0.1025
Trypanosoma brucei beta tubulin 0.0025 0.0653 0.4094
Plasmodium falciparum tubulin gamma chain 0.0025 0.0653 0.4094
Echinococcus multilocularis N chimaerin 0.0012 0.008 0.008
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0045 0.1538 1
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.1538 1
Echinococcus granulosus cyclins 0.0018 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0044 0.1497 0.1497
Schistosoma mansoni tubulin subunit beta 0.0025 0.0653 0.0653
Echinococcus granulosus tubulin epsilon chain 0.0025 0.0653 0.0653
Echinococcus multilocularis Tubulin alpha 1 chain 0.0033 0.1025 0.1025
Echinococcus granulosus tubulin alpha chain 0.0033 0.1025 0.1025
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0025 0.0653 0.0653
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0406 0.2445
Echinococcus granulosus Tubulin alpha 1 chain 0.0033 0.1025 0.1025
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0012 0.008 0.008
Echinococcus granulosus tubulin alpha 3 chain 0.0033 0.1025 0.1025
Trypanosoma brucei beta tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus tubulin alpha 1C chain 0.0033 0.1025 0.1025
Brugia malayi tubulin alpha chain - mouse 0.0033 0.1025 0.1025
Echinococcus multilocularis cyclin dependent kinase 5 0.0045 0.1538 0.1538
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0045 0.1538 1
Schistosoma mansoni tubulin subunit beta 0.0025 0.0653 0.0653
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0044 0.1492 0.9689
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.1025 0.6577
Giardia lamblia Kinase, CMGC CDK 0.0045 0.1538 1
Echinococcus granulosus geminin 0.0205 0.8548 0.8548
Echinococcus granulosus beta tubulin 0.0025 0.0653 0.0653
Echinococcus granulosus Tubulin beta 2C chain 0.0025 0.0653 0.0653
Brugia malayi Variant SH3 domain containing protein 0.0012 0.008 0.008
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus cyclin b3 0.0018 0.037 0.037
Trypanosoma brucei alpha tubulin, putative 0.0014 0.0182 0.0952
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1538 1
Trypanosoma brucei epsilon tubulin 0.0025 0.0653 0.4094
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0045 0.1538 0.1538
Giardia lamblia G2/mitotic-specific cyclin B 0.0044 0.1492 0.9689
Echinococcus multilocularis peroxisome assembly protein 26 0.0033 0.1025 0.1025
Toxoplasma gondii beta tubulin 0.0025 0.0653 0.4094
Leishmania major beta tubulin 0.0025 0.0653 0.4094
Loa Loa (eye worm) alpha-tubulin 0.0033 0.1025 0.1025
Loa Loa (eye worm) tubulin alpha 2 0.0022 0.0554 0.0554
Trichomonas vaginalis cyclins, putative 0.003 0.0884 0.5631
Schistosoma mansoni hypothetical protein 0.0019 0.0405 0.0405
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0405 0.0405
Trypanosoma cruzi tubulin gamma chain 0.0025 0.0653 0.4094
Brugia malayi isocitrate dehydrogenase 0.0019 0.0406 0.0406
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Leishmania major alpha tubulin 0.0033 0.1025 0.6577
Loa Loa (eye worm) raf kinase 0.0222 0.9306 0.9306
Echinococcus multilocularis cyclins 0.0018 0.037 0.037
Trypanosoma cruzi CYC2-like cyclin, putative 0.0044 0.1492 0.9689

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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