Detailed information for compound 1560796

Basic information

Technical information
  • TDR Targets ID: 1560796
  • Name: 6-bromo-2-methoxy-6,7,8,9-tetrahydrobenzo[7]a nnulen-5-one
  • MW: 269.134 | Formula: C12H13BrO2
  • H donors: 0 H acceptors: 1 LogP: 3.24 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CCCC(C2=O)Br
  • InChi: 1S/C12H13BrO2/c1-15-9-5-6-10-8(7-9)3-2-4-11(13)12(10)14/h5-7,11H,2-4H2,1H3
  • InChiKey: YVOBLRLPIJTZAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 72472-43-6
  • NCI60_002456
  • 5H-Benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-2-methoxy-
  • NSC295084

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 granulosus Tubulin beta 2C chain 0.118 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0825 0.0816
Entamoeba histolytica hypothetical protein 0.0081 0.0538 0.0528
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0825 0.0816
Echinococcus multilocularis tubulin alpha chain 0.0889 0.7499 0.7496
Brugia malayi tubulin alpha-2 chain 0.0889 0.7499 0.7499
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0825 0.2783
Mycobacterium tuberculosis Cell division protein FtsZ 0.0304 0.2463 1
Trypanosoma brucei epsilon tubulin 0.0664 0.5557 0.5519
Trichomonas vaginalis tubulin epsilon chain, putative 0.118 1 1
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Echinococcus multilocularis tubulin gamma 1 chain 0.0725 0.6088 0.6084
Schistosoma mansoni hypothetical protein 0.0081 0.0538 0.0528
Leishmania major beta tubulin 0.118 1 1
Brugia malayi Cell division protein ftsZ 0.0304 0.2463 0.2463
Loa Loa (eye worm) tubulin alpha-3 chain 0.053 0.4405 0.4399
Trypanosoma brucei beta tubulin 0.118 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0664 0.5557 0.5553
Trichomonas vaginalis tubulin, putative 0.0366 0.2994 0.2986
Echinococcus granulosus tubulin gamma 1 chain 0.0725 0.6088 0.6084
Echinococcus granulosus tubulin beta 4A class IVa 0.118 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.118 1 1
Trypanosoma brucei tubulin delta chain 0.0685 0.574 0.5703
Onchocerca volvulus 0.0359 0.2937 1
Toxoplasma gondii beta tubulin 0.118 1 1
Schistosoma mansoni kinase 0.0058 0.0342 0.0332
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Echinococcus granulosus Tubulin beta 2C chain 0.118 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.118 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0889 0.7499 0.7496
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Echinococcus multilocularis beta tubulin 0.118 1 1
Entamoeba histolytica tubulin gamma chain 0.0725 0.6088 0.6084
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0585 0.4879 0.4874
Leishmania major beta tubulin 0.118 1 1
Leishmania major cathepsin L-like protease 0.0074 0.048 0.047
Trichomonas vaginalis tubulin beta chain, putative 0.0889 0.7499 0.7496
Trichomonas vaginalis conserved hypothetical protein 0.0304 0.2463 0.2455
Giardia lamblia Gamma tubulin 0.0725 0.6088 0.5736
Giardia lamblia Delta tubulin 0.0304 0.2463 0.1785
Brugia malayi bHLH-PAS transcription factor 0.0042 0.0203 0.0203
Echinococcus granulosus tubulin alpha chain 0.0889 0.7499 0.7496
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Loa Loa (eye worm) isocitrate dehydrogenase 0.0035 0.0148 0.0138
Brugia malayi hypoxia-induced factor 1 0.0175 0.1347 0.1347
Trichomonas vaginalis tubulin alpha chain, putative 0.0664 0.5557 0.5553
Loa Loa (eye worm) hypoxia-induced factor 1 0.0175 0.1347 0.1338
Brugia malayi hypothetical protein 0.0028 0.0086 0.0086
Brugia malayi hypothetical protein 0.0081 0.0538 0.0538
Echinococcus granulosus Tubulin alpha 1 chain 0.0889 0.7499 0.7496
Schistosoma mansoni alpha tubulin 0.0889 0.7499 0.7496
Trichomonas vaginalis tubulin beta chain, putative 0.0889 0.7499 0.7496
Plasmodium falciparum alpha tubulin 1 0.0889 0.7499 0.7496
Leishmania major beta tubulin 0.118 1 1
Trypanosoma cruzi tubulin gamma chain 0.0725 0.6088 0.6084
Schistosoma mansoni tubulin subunit alpha 0.0304 0.2463 0.2455
Leishmania major beta tubulin 0.118 1 1
Trypanosoma brucei zeta tubulin 0.0941 0.7941 0.7923
Schistosoma mansoni hypothetical protein 0.0205 0.1604 0.1596
Echinococcus multilocularis tubulin subunit beta 0.118 1 1
Echinococcus granulosus tubulin epsilon chain 0.0725 0.608 0.6076
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0425 0.0415
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0269 0.2156 0.2148
Trichomonas vaginalis tubulin gamma chain, putative 0.0725 0.6088 0.6084
Loa Loa (eye worm) BEN-1 protein 0.118 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0889 0.7499 0.7496
Trichomonas vaginalis tubulin beta chain, putative 0.0889 0.7499 0.7496
Plasmodium vivax tubulin beta chain, putative 0.118 1 1
Echinococcus granulosus tubulin alpha 0.0664 0.5557 0.5553
Leishmania major gamma-tubulin 0.0725 0.6088 0.6084
Schistosoma mansoni hypothetical protein 0.0205 0.1604 0.1596
Echinococcus multilocularis tubulin alpha 1C chain 0.0889 0.7499 0.7496
Trypanosoma brucei alpha tubulin 0.0889 0.7499 0.7477
Trypanosoma brucei epsilon tubulin 0.0725 0.608 0.6046
Schistosoma mansoni transcription factor LCR-F1 0.0081 0.0538 0.0528
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Brugia malayi Cathepsin L-like precursor 0.0019 0.001 0.001
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Loa Loa (eye worm) hypothetical protein 0.053 0.4405 0.4399
Trichomonas vaginalis tubulin beta chain, putative 0.0889 0.7499 0.7496
Loa Loa (eye worm) tubulin alpha 2 0.0585 0.4879 0.4874
Leishmania major epsilon tubulin, putative 0.0725 0.608 0.6076
Onchocerca volvulus 0.0042 0.0203 0.0657
Brugia malayi follicle stimulating hormone receptor 0.0269 0.2156 0.2156
Trichomonas vaginalis tubulin epsilon chain, putative 0.0889 0.7499 0.7496
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0086 0.0076
Leishmania major beta tubulin 0.118 1 1
Mycobacterium leprae cell division protein FtsZ 0.0304 0.2463 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0035 0.0148 0.0138
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0889 0.7499 0.7496
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0359 0.2937 0.293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Echinococcus granulosus Tubulin beta 2C chain 0.118 1 1
Leishmania major beta tubulin 0.118 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.118 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.048 0.047
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Trichomonas vaginalis tubulin epsilon chain, putative 0.0889 0.7499 0.7496
Trypanosoma brucei polo-like protein kinase 0.0114 0.0825 0.0745
Toxoplasma gondii beta-1 tubulin, putative 0.118 1 1
Trypanosoma brucei tubulin gamma chain 0.0725 0.6088 0.6054
Leishmania major delta tubulin, putative 0.0685 0.574 0.5735
Giardia lamblia Epsilon tubulin 0.0365 0.2986 0.2355
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Echinococcus multilocularis Tubulin alpha 1 chain 0.0889 0.7499 0.7496
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0148 0.0138
Trichomonas vaginalis tubulin beta chain, putative 0.0889 0.7499 0.7496
Echinococcus granulosus tubulin subunit beta 0.118 1 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.001 0.001
Giardia lamblia Beta tubulin 0.118 1 1
Echinococcus granulosus alpha tubulin 0.0889 0.7499 0.7496
Echinococcus granulosus tubulin beta 1 chain 0.118 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0359 0.2937 0.293
Trichomonas vaginalis tubulin alpha chain, putative 0.118 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0304 0.2463 0.2455
Echinococcus multilocularis tubulin alpha chain 0.0889 0.7499 0.7496
Brugia malayi beta-tubulin, identical 0.118 1 1
Echinococcus granulosus single minded 2 0.0042 0.0203 0.0193
Schistosoma mansoni tubulin subunit beta 0.118 1 1
Loa Loa (eye worm) alpha-tubulin 0.0889 0.7499 0.7496
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0329 0.0319
Entamoeba histolytica hypothetical protein 0.0081 0.0538 0.0528
Brugia malayi Cathepsin L-like precursor 0.0019 0.001 0.001
Toxoplasma gondii alpha-tubulin I, putative 0.0889 0.7499 0.7496
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0086 0.0076
Trichomonas vaginalis tubulin alpha chain, putative 0.0359 0.2937 0.293
Trypanosoma brucei alpha tubulin 0.0889 0.7499 0.7477
Trichomonas vaginalis tubulin gamma chain, putative 0.118 1 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0056 0.0329 0.0319
Leishmania major beta tubulin 0.118 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0148 0.0138
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0148 0.0063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0086 0.0076
Trichomonas vaginalis tubulin, putative 0.118 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0086 0.0076
Echinococcus multilocularis tubulin alpha 0.0664 0.5557 0.5553
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0344 0.0334
Plasmodium vivax tubulin epsilon chain, putative 0.0725 0.608 0.6076
Plasmodium falciparum tubulin gamma chain 0.0725 0.6088 0.6084
Trypanosoma cruzi tubulin delta chain 0.0685 0.574 0.5735
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.048 0.047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Echinococcus multilocularis Tubulin beta 2C chain 0.118 1 1
Giardia lamblia Alpha-tubulin 0.0889 0.7499 0.7274
Loa Loa (eye worm) tubulin beta-1 chain 0.118 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0035 0.0148 0.0063
Echinococcus granulosus Tubulin alpha 1 chain 0.0889 0.7499 0.7496
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0825 0.0816
Brugia malayi Tubulin beta chain 0.0359 0.2937 0.2937
Echinococcus granulosus Tubulin alpha 1 chain 0.0889 0.7499 0.7496
Brugia malayi tubulin alpha chain - mouse 0.0889 0.7499 0.7499
Echinococcus multilocularis tubulin alpha chain 0.0889 0.7499 0.7496
Entamoeba histolytica tubulin alpha chain, putative 0.0889 0.7499 0.7496
Leishmania major beta tubulin 0.118 1 1
Loa Loa (eye worm) BEN-1 protein 0.118 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0725 0.6088 0.6084
Leishmania major beta tubulin 0.118 1 1
Leishmania major beta tubulin 0.118 1 1
Echinococcus granulosus tubulin delta chain 0.0304 0.2463 0.2455
Trypanosoma cruzi epsilon tubulin, putative 0.0725 0.608 0.6076
Echinococcus granulosus peroxisome assembly protein 26 0.0889 0.7499 0.7496
Echinococcus multilocularis tubulin subunit TubB 0.0889 0.7499 0.7496
Echinococcus granulosus tubulin alpha chain 0.0889 0.7499 0.7496
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0035 0.0148 0.0138
Echinococcus granulosus beta tubulin 0.118 1 1
Echinococcus granulosus geminin 0.0205 0.1604 0.1596
Echinococcus multilocularis Tubulin beta 2C chain 0.118 1 1
Brugia malayi Tubulin alpha chain 0.0304 0.2463 0.2463
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0148 0.0138
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Loa Loa (eye worm) hypothetical protein 0.0585 0.4879 0.4874
Echinococcus multilocularis isocitrate dehydrogenase 0.0035 0.0148 0.0138
Echinococcus multilocularis Tubulin alpha 1 chain 0.0889 0.7499 0.7496
Brugia malayi isocitrate dehydrogenase 0.0035 0.0148 0.0148
Loa Loa (eye worm) tubulin beta-4 chain 0.118 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0889 0.7499 0.7496
Loa Loa (eye worm) beta-tubulin 0.118 1 1
Giardia lamblia Beta tubulin 0.118 1 1
Schistosoma mansoni tubulin subunit delta 0.0304 0.2463 0.2455
Trypanosoma brucei beta tubulin 0.0664 0.5557 0.5519
Echinococcus multilocularis tubulin alpha chain 0.0889 0.7499 0.7496
Echinococcus granulosus Tubulin beta 2C chain 0.118 1 1
Trypanosoma brucei beta tubulin 0.118 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0086 0.0076
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Toxoplasma gondii beta-tubulin, putative 0.118 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Schistosoma mansoni tubulin subunit beta 0.118 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0889 0.7499 0.7496
Schistosoma mansoni tubulin subunit alpha 0.0889 0.7499 0.7496
Brugia malayi Cathepsin L-like precursor 0.0019 0.001 0.001
Echinococcus granulosus tubulin alpha 1C chain 0.0889 0.7499 0.7496
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Schistosoma mansoni tubulin subunit alpha 0.0889 0.7499 0.7496
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0148 0.0138
Leishmania major beta tubulin 0.118 1 1
Loa Loa (eye worm) tubulin beta chain 0.0304 0.2463 0.2455
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0585 0.4879 0.4874
Trypanosoma cruzi tubulin delta chain 0.0685 0.574 0.5735
Schistosoma mansoni tubulin subunit beta 0.118 1 1
Toxoplasma gondii tubulin, putative 0.0061 0.0366 0.0356
Schistosoma mansoni single-minded 0.0056 0.0329 0.0319
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0538 0.0528
Echinococcus granulosus beta tubulin 0.118 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0148 0.0138
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Leishmania major zeta tubulin, putative 0.0941 0.7941 0.7939
Echinococcus granulosus tubulin alpha 1C chain 0.0889 0.7499 0.7496
Trypanosoma cruzi zeta tubulin, putative 0.0941 0.7941 0.7939
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Plasmodium vivax delta tubulin, putative 0.0304 0.2463 0.2455
Trichomonas vaginalis tubulin gamma chain, putative 0.0304 0.2463 0.2455
Schistosoma mansoni tubulin subunit gamma 0.0725 0.6088 0.6084
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.053 0.4405 0.4399
Brugia malayi Cathepsin L-like precursor 0.0019 0.001 0.001
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0304 0.2463 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.118 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.118 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0889 0.7499 0.7496
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.0203 0.0193
Schistosoma mansoni tubulin subunit beta 0.0304 0.2463 0.2455
Echinococcus granulosus tubulin alpha 3 chain 0.0889 0.7499 0.7496
Trichomonas vaginalis tubulin, putative 0.0359 0.2937 0.293
Trichomonas vaginalis conserved hypothetical protein 0.0304 0.2463 0.2455
Trypanosoma brucei alpha tubulin, putative 0.0359 0.2937 0.2876
Leishmania major beta tubulin 0.118 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0148 0.0138
Echinococcus multilocularis tubulin alpha chain 0.0889 0.7499 0.7496
Loa Loa (eye worm) tubulin alpha chain 0.0889 0.7499 0.7496
Brugia malayi Cathepsin L-like precursor 0.0019 0.001 0.001
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0086 0.0076
Leishmania major beta tubulin 0.118 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0825 0.0816
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.001 0.001
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0365 0.2986 0.2979
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0825 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0825 0.0816
Brugia malayi Tubulin gamma chain 0.0725 0.6088 0.6088
Loa Loa (eye worm) tubulin beta chain 0.118 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0889 0.7499 0.7496
Mycobacterium ulcerans cell division protein FtsZ 0.0304 0.2463 1
Brugia malayi Tubulin beta chain 0.0304 0.2463 0.2463
Leishmania major beta tubulin 0.118 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0889 0.7499 0.7496
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0035 0.0148 0.0138
Trichomonas vaginalis tubulin beta chain, putative 0.118 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0359 0.2937 0.293
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0538 0.0528
Loa Loa (eye worm) tubulin alpha 2 0.0585 0.4879 0.4874
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0825 0.0825
Echinococcus granulosus tubulin alpha chain 0.0889 0.7499 0.7496
Trypanosoma brucei beta tubulin 0.118 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0825 0.0816
Brugia malayi Tubulin alpha chain 0.0889 0.7499 0.7499
Brugia malayi alpha-tubulin 0.0889 0.7499 0.7499
Plasmodium vivax tubulin gamma chain, putative 0.0725 0.6088 0.6084
Entamoeba histolytica hypothetical protein 0.0081 0.0538 0.0528
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0825 0.0816
Trichomonas vaginalis tubulin, putative 0.0359 0.2937 0.293
Plasmodium falciparum alpha tubulin 2 0.0889 0.7499 0.7496
Toxoplasma gondii alpha tubulin TUBA1 0.0889 0.7499 0.7496
Leishmania major beta tubulin 0.118 1 1
Schistosoma mansoni tubulin subunit beta 0.118 1 1
Echinococcus multilocularis hypothetical protein 0.0889 0.7499 0.7496
Loa Loa (eye worm) tubulin alpha-2 chain 0.0889 0.7499 0.7496
Schistosoma mansoni tubulin subunit epsilon 0.0725 0.608 0.6076
Brugia malayi Isocitrate dehydrogenase 0.0035 0.0148 0.0148
Echinococcus multilocularis tubulin beta 1 chain 0.118 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0329 0.0319
Trypanosoma cruzi zeta tubulin, putative 0.0941 0.7941 0.7939
Leishmania major beta tubulin 0.118 1 1
Schistosoma mansoni tubulin subunit alpha 0.0889 0.7499 0.7496
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.048 0.047
Plasmodium falciparum tubulin beta chain 0.118 1 1
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Trypanosoma brucei alpha tubulin 0.0889 0.7499 0.7477
Entamoeba histolytica tubulin family protein 0.118 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0725 0.608 0.6076
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Giardia lamblia Alpha-tubulin 0.0889 0.7499 0.7274
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0148 0.0138
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Schistosoma mansoni tubulin subunit beta 0.118 1 1
Treponema pallidum cell division protein FtsZ 0.0304 0.2463 0.5
Plasmodium falciparum tubulin epsilon chain, putative 0.0725 0.608 0.6076
Trichomonas vaginalis tubulin beta chain, putative 0.0359 0.2937 0.293
Loa Loa (eye worm) tubulin alpha 2 0.0226 0.1785 0.1776
Echinococcus granulosus tubulin subunit TubB 0.0889 0.7499 0.7496
Entamoeba histolytica tubulin family protein 0.118 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0104 0.0094
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0035 0.0148 0.0138
Plasmodium falciparum tubulin delta chain, putative 0.0304 0.2463 0.2455
Brugia malayi Tubulin alpha-2 chain 0.0889 0.7499 0.7499
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0035 0.0148 0.0138
Trypanosoma cruzi alpha tubulin, putative 0.0889 0.7499 0.7496
Loa Loa (eye worm) alpha-tubulin 0.0889 0.7499 0.7496
Leishmania major beta tubulin 0.118 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0685 0.574 0.5735
Trypanosoma brucei alpha tubulin 0.0889 0.7499 0.7477
Schistosoma mansoni tubulin subunit beta 0.118 1 1
Echinococcus multilocularis geminin 0.0205 0.1604 0.1596
Echinococcus multilocularis beta tubulin 0.118 1 1
Trypanosoma brucei epsilon tubulin 0.0725 0.608 0.6046
Leishmania major hypothetical protein, conserved 0.0028 0.0086 0.0076
Schistosoma mansoni alpha tubulin 0.0889 0.7499 0.7496
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0304 0.2463 0.2455
Plasmodium vivax tubulin alpha chain, putative 0.0889 0.7499 0.7496
Echinococcus multilocularis tubulin epsilon chain 0.0725 0.608 0.6076
Trypanosoma cruzi cruzipain precursor, putative 0.0074 0.048 0.047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Leishmania major cathepsin L-like protease 0.0074 0.048 0.047
Entamoeba histolytica hypothetical protein 0.0081 0.0538 0.0528
Schistosoma mansoni alpha tubulin 0.0889 0.7499 0.7496
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0035 0.0148 0.0138
Leishmania major beta tubulin 0.118 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0889 0.7499 0.7496
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0086 0.0076
Brugia malayi Cytochrome P450 family protein 0.003 0.0104 0.0104
Echinococcus multilocularis tubulin delta chain 0.0304 0.2463 0.2455
Echinococcus granulosus tubulin alpha chain 0.0889 0.7499 0.7496
Brugia malayi hypothetical protein 0.0189 0.1473 0.1473
Loa Loa (eye worm) hypothetical protein 0.0889 0.7499 0.7496
Loa Loa (eye worm) hypothetical protein 0.0189 0.1473 0.1464
Trypanosoma cruzi beta tubulin, putative 0.118 1 1
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Trypanosoma brucei beta tubulin 0.118 1 1
Leishmania major cathepsin L-like protease 0.0074 0.048 0.047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.048 0.0397
Trypanosoma cruzi epsilon tubulin, putative 0.0725 0.608 0.6076
Giardia lamblia Beta tubulin 0.118 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.118 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0825 0.0816
Brugia malayi Tubulin alpha-2 chain 0.0889 0.7499 0.7499
Leishmania major alpha tubulin 0.0889 0.7499 0.7496
Brugia malayi PAS domain containing protein 0.0056 0.0329 0.0329
Echinococcus multilocularis Tubulin alpha 1 chain 0.0889 0.7499 0.7496
Echinococcus granulosus tubulin alpha chain 0.0889 0.7499 0.7496
Echinococcus multilocularis peroxisome assembly protein 26 0.0889 0.7499 0.7496
Trypanosoma brucei zeta tubulin, putative 0.0941 0.7941 0.7923
Echinococcus multilocularis tubulin, beta 4A class IVa 0.118 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.664 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.594 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.592 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.561 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.54 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.445 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.349 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.31 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.199 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.121 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.821 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10.6213 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (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 SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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