Detailed information for compound 1779116

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.345 | Formula: C18H18N2O6
  • H donors: 1 H acceptors: 2 LogP: 2.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)[nH]c(=O)n2C(=O)c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C18H18N2O6/c1-23-11-5-6-13-12(9-11)19-18(22)20(13)17(21)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,19,22)
  • InChiKey: CLAJXEICSSUZAF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Tubulin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Tubulin alpha-1C chain, putative Tubulin   445 aa 438 aa 38.8 %
Plasmodium vivax tubulin alpha chain, putative Tubulin   445 aa 434 aa 40.3 %
Schistosoma japonicum ko:K07374 tubulin alpha, putative Tubulin   445 aa 433 aa 40.0 %
Entamoeba histolytica tubulin family protein Tubulin   445 aa 429 aa 57.8 %
Neospora caninum tubulin alpha chain, putative Tubulin   445 aa 433 aa 30.9 %
Echinococcus multilocularis tubulin gamma 1 chain Tubulin   445 aa 436 aa 34.2 %
Toxoplasma gondii alpha-tubulin I, putative Tubulin   445 aa 442 aa 40.0 %
Onchocerca volvulus Tubulin   445 aa 433 aa 40.0 %
Echinococcus multilocularis tubulin delta chain Tubulin   445 aa 461 aa 26.0 %
Onchocerca volvulus Tubulin   445 aa 427 aa 49.9 %
Echinococcus granulosus tubulin alpha chain Tubulin   445 aa 433 aa 33.5 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Entamoeba histolytica tubulin alpha-1 chain Tubulin   445 aa 439 aa 36.2 %
Schistosoma mansoni tubulin subunit beta Tubulin   445 aa 430 aa 95.8 %
Echinococcus multilocularis Tubulin alpha 1 chain Tubulin   445 aa 434 aa 38.9 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Leishmania mexicana alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Schistosoma mansoni tubulin subunit beta Tubulin   445 aa 430 aa 92.6 %
Leishmania donovani tubulin gamma chain Tubulin   445 aa 438 aa 34.2 %
Onchocerca volvulus Putative cytochrome c-type heme lyase Tubulin   445 aa 429 aa 87.9 %
Trypanosoma congolense alpha tubulin Tubulin   445 aa 434 aa 40.8 %
Schistosoma japonicum ko:K10389 tubulin gamma, putative Tubulin   445 aa 436 aa 33.9 %
Theileria parva Tubulin alpha chain, putative Tubulin   445 aa 439 aa 39.6 %
Echinococcus granulosus peroxisome assembly protein 26 Tubulin   445 aa 438 aa 29.2 %
Schistosoma japonicum ko:K07374 tubulin alpha, putative Tubulin   445 aa 433 aa 39.3 %
Cryptosporidium parvum gamma tubulin Tubulin   445 aa 436 aa 37.4 %
Plasmodium berghei alpha tubulin 2 Tubulin   445 aa 434 aa 41.2 %
Cryptosporidium hominis gamma-tubulin Tubulin   445 aa 436 aa 37.4 %
Echinococcus granulosus Tubulin beta 2C chain Tubulin   445 aa 428 aa 92.3 %
Plasmodium berghei tubulin gamma chain, putative Tubulin   445 aa 438 aa 33.1 %
Plasmodium falciparum tubulin gamma chain Tubulin   445 aa 438 aa 32.6 %
Leishmania infantum epsilon tubulin, putative Tubulin   445 aa 475 aa 30.1 %
Toxoplasma gondii beta-1 tubulin, putative Tubulin   445 aa 430 aa 89.1 %
Plasmodium yoelii tubulin beta chain Tubulin   445 aa 445 aa 29.7 %
Neospora caninum tubulin alpha chain Tubulin   445 aa 440 aa 40.5 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Brugia malayi Tubulin alpha-2 chain Tubulin   445 aa 435 aa 38.6 %
Leishmania mexicana beta tubulin Tubulin   445 aa 429 aa 86.2 %
Trichomonas vaginalis tubulin beta chain, putative Tubulin   445 aa 434 aa 39.6 %
Trypanosoma brucei alpha tubulin Tubulin   445 aa 434 aa 40.8 %
Plasmodium vivax tubulin gamma chain, putative Tubulin   445 aa 438 aa 33.1 %
Loa Loa (eye worm) tubulin alpha chain Tubulin   445 aa 432 aa 39.8 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Leishmania mexicana gamma-tubulin Tubulin   445 aa 438 aa 34.2 %
Brugia malayi Tubulin gamma chain Tubulin   445 aa 440 aa 31.4 %
Echinococcus granulosus Tubulin alpha 1 chain Tubulin   445 aa 434 aa 38.9 %
Echinococcus multilocularis Tubulin beta 2C chain Tubulin   445 aa 428 aa 92.5 %
Entamoeba histolytica tubulin gamma chain Tubulin   445 aa 428 aa 32.9 %
Dictyostelium discoideum gamma tubulin Tubulin   445 aa 429 aa 33.8 %
Trypanosoma cruzi alpha tubulin, putative Tubulin   445 aa 434 aa 40.6 %
Echinococcus multilocularis tubulin alpha 3 chain Tubulin   445 aa 434 aa 40.1 %
Echinococcus granulosus beta tubulin Tubulin   445 aa 427 aa 82.7 %
Trypanosoma brucei alpha tubulin Tubulin   445 aa 434 aa 40.8 %
Babesia bovis tubulin, putative Tubulin   445 aa 457 aa 21.4 %
Echinococcus multilocularis tubulin alpha chain Tubulin   445 aa 434 aa 40.1 %
Giardia lamblia Alpha-tubulin Tubulin   445 aa 434 aa 40.3 %
Toxoplasma gondii beta tubulin Tubulin   445 aa 430 aa 89.1 %
Trichomonas vaginalis tubulin alpha chain, putative Tubulin   445 aa 428 aa 80.8 %
Schistosoma mansoni alpha tubulin Tubulin   445 aa 436 aa 39.7 %
Babesia bovis tubulin gamma chain Tubulin   445 aa 441 aa 34.2 %
Trypanosoma congolense epsilon tubulin Tubulin   445 aa 464 aa 29.3 %
Trypanosoma brucei epsilon tubulin Tubulin   445 aa 446 aa 29.6 %
Plasmodium berghei alpha tubulin 1 Tubulin   445 aa 434 aa 40.3 %
Trypanosoma brucei epsilon tubulin Tubulin   445 aa 446 aa 29.6 %
Loa Loa (eye worm) tubulin beta-1 chain Tubulin   445 aa 432 aa 88.4 %
Brugia malayi alpha-tubulin Tubulin   445 aa 434 aa 38.7 %
Onchocerca volvulus Regulatory-associated protein of mTOR homolog Tubulin   445 aa 440 aa 38.6 %
Trichomonas vaginalis tubulin alpha-1 chain, putative Tubulin   445 aa 434 aa 39.6 %
Onchocerca volvulus 1D304 homolog Tubulin   445 aa 433 aa 40.4 %
Trypanosoma cruzi tubulin gamma chain Tubulin   445 aa 436 aa 33.5 %
Trichomonas vaginalis tubulin beta chain, putative Tubulin   445 aa 434 aa 39.6 %
Onchocerca volvulus Putative methyltransferase KIAA1456 Tubulin   445 aa 426 aa 49.8 %
Schistosoma mansoni tubulin subunit gamma Tubulin   445 aa 436 aa 33.5 %
Giardia lamblia Beta tubulin Tubulin   445 aa 428 aa 88.8 %
Echinococcus multilocularis tubulin alpha 3 chain Tubulin   445 aa 439 aa 40.3 %
Trypanosoma brucei alpha tubulin Tubulin   445 aa 434 aa 40.8 %
Plasmodium knowlesi tubulin epsilon chain, putative Tubulin   445 aa 441 aa 29.0 %
Onchocerca volvulus Tubulin   445 aa 441 aa 31.5 %
Theileria parva tubulin alpha chain, putative Tubulin   445 aa 452 aa 36.7 %
Echinococcus granulosus Tubulin alpha 1 chain Tubulin   445 aa 434 aa 40.3 %
Cryptosporidium hominis alpha-tubulin Tubulin   445 aa 438 aa 40.2 %
Babesia bovis tubulin alpha chain, putative Tubulin   445 aa 433 aa 40.6 %
Leishmania infantum alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Entamoeba histolytica tubulin family protein Tubulin   445 aa 428 aa 56.3 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Plasmodium knowlesi alpha-tubulin II, putative Tubulin   445 aa 434 aa 41.2 %
Neospora caninum hypothetical protein Tubulin   445 aa 430 aa 89.1 %
Brugia malayi tubulin alpha-2 chain Tubulin   445 aa 440 aa 38.4 %
Plasmodium yoelii tubulin alpha chain Tubulin   445 aa 434 aa 40.3 %
Schistosoma mansoni tubulin subunit alpha Tubulin   445 aa 434 aa 38.9 %
Leishmania major gamma-tubulin Tubulin   445 aa 438 aa 34.0 %
Dictyostelium discoideum hypothetical protein Tubulin   445 aa 438 aa 38.6 %
Echinococcus multilocularis tubulin alpha 1C chain Tubulin   445 aa 434 aa 39.9 %
Schistosoma japonicum Tubulin beta chain, putative Tubulin   445 aa 436 aa 96.6 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Loa Loa (eye worm) tubulin alpha-2 chain Tubulin   445 aa 440 aa 39.1 %
Echinococcus granulosus tubulin subunit TubB Tubulin   445 aa 441 aa 30.6 %
Plasmodium vivax tubulin alpha chain, putative Tubulin   445 aa 434 aa 41.2 %
Neospora caninum Beta-tubulin, related Tubulin   445 aa 446 aa 35.0 %
Brugia malayi tubulin alpha chain - mouse Tubulin   445 aa 433 aa 40.0 %
Trichomonas vaginalis tubulin beta chain, putative Tubulin   445 aa 434 aa 39.6 %
Loa Loa (eye worm) BEN-1 protein Tubulin   445 aa 427 aa 82.4 %
Leishmania braziliensis alpha tubulin Tubulin   445 aa 434 aa 40.3 %
Leishmania braziliensis gamma-tubulin Tubulin   445 aa 438 aa 34.2 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Echinococcus multilocularis Tubulin beta 2C chain Tubulin   445 aa 430 aa 94.4 %
Echinococcus multilocularis Tubulin alpha 1 chain Tubulin   445 aa 434 aa 40.8 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Trypanosoma cruzi epsilon tubulin, putative Tubulin   445 aa 456 aa 30.9 %
Leishmania braziliensis epsilon tubulin, putative Tubulin   445 aa 465 aa 29.9 %
Drosophila melanogaster gamma-Tubulin at 23C Tubulin   445 aa 439 aa 34.4 %
Plasmodium knowlesi tubulin gamma chain, putative Tubulin   445 aa 438 aa 33.1 %
Plasmodium falciparum alpha tubulin 2 Tubulin   445 aa 434 aa 41.2 %
Onchocerca volvulus Tubulin   445 aa 445 aa 36.2 %
Giardia lamblia Alpha-tubulin Tubulin   445 aa 434 aa 40.3 %
Onchocerca volvulus Tubulin   445 aa 427 aa 82.7 %
Trypanosoma brucei gambiense gamma tubulin Tubulin   445 aa 436 aa 33.5 %
Echinococcus granulosus tubulin alpha chain Tubulin   445 aa 432 aa 35.0 %
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein Tubulin   445 aa 433 aa 30.7 %
Neospora caninum hypothetical protein Tubulin   445 aa 430 aa 89.1 %
Trypanosoma brucei alpha tubulin Tubulin   445 aa 434 aa 40.8 %
Trypanosoma congolense tubulin gamma chain Tubulin   445 aa 436 aa 33.3 %
Loa Loa (eye worm) BEN-1 protein Tubulin   445 aa 427 aa 57.1 %
Dictyostelium discoideum beta tubulin Tubulin   445 aa 432 aa 76.2 %
Trichomonas vaginalis tubulin beta chain, putative Tubulin   445 aa 428 aa 80.6 %
Trypanosoma cruzi epsilon tubulin, putative Tubulin   445 aa 456 aa 30.9 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Giardia lamblia Beta tubulin Tubulin   445 aa 428 aa 88.8 %
Brugia malayi beta-tubulin, identical Tubulin   445 aa 430 aa 90.9 %
Leishmania braziliensis alpha tubulin Tubulin   445 aa 434 aa 40.3 %
Giardia lamblia Epsilon tubulin Tubulin   445 aa 442 aa 27.6 %
Dictyostelium discoideum alpha tubulin Tubulin   445 aa 446 aa 41.0 %
Cryptosporidium parvum alpha tubulin Tubulin   445 aa 438 aa 40.2 %
Echinococcus multilocularis tubulin subunit TubB Tubulin   445 aa 441 aa 30.6 %
Onchocerca volvulus Tyrosine kinase homolog Tubulin   445 aa 434 aa 38.2 %
Echinococcus granulosus tubulin alpha 1C chain Tubulin   445 aa 434 aa 39.6 %
Leishmania infantum gamma-tubulin Tubulin   445 aa 438 aa 34.2 %
Onchocerca volvulus Tubulin   445 aa 435 aa 39.8 %
Echinococcus granulosus tubulin alpha Tubulin   445 aa 440 aa 30.2 %
Toxoplasma gondii beta-tubulin, putative Tubulin   445 aa 430 aa 89.8 %
Drosophila melanogaster beta-Tubulin at 60D Tubulin   445 aa 435 aa 91.3 %
Trichomonas vaginalis tubulin epsilon chain, putative Tubulin   445 aa 434 aa 39.6 %
Echinococcus multilocularis hypothetical protein Tubulin   445 aa 422 aa 29.9 %
Loa Loa (eye worm) tubulin beta-2A chain Tubulin   445 aa 430 aa 91.9 %
Plasmodium knowlesi alpha tubulin, putative Tubulin   445 aa 434 aa 40.3 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Leishmania mexicana epsilon tubulin, putative Tubulin   445 aa 469 aa 30.5 %
Theileria parva tubulin gamma chain, putative Tubulin   445 aa 420 aa 34.3 %
Echinococcus granulosus tubulin alpha 3 chain Tubulin   445 aa 439 aa 40.3 %
Leishmania donovani epsilon tubulin, putative Tubulin   445 aa 475 aa 30.1 %
Giardia lamblia Beta tubulin Tubulin   445 aa 428 aa 88.8 %
Trichomonas vaginalis tubulin beta chain, putative Tubulin   445 aa 434 aa 39.6 %
Schistosoma mansoni tubulin subunit alpha Tubulin   445 aa 439 aa 39.4 %
Echinococcus multilocularis tubulin, beta 4A class IVa Tubulin   445 aa 381 aa 71.4 %
Echinococcus granulosus tubulin beta 4A class IVa Tubulin   445 aa 381 aa 71.4 %
Trichomonas vaginalis tubulin epsilon chain, putative Tubulin   445 aa 428 aa 80.8 %
Plasmodium berghei tubulin epsilon chain, putative Tubulin   445 aa 445 aa 29.4 %
Trichomonas vaginalis tubulin, putative Tubulin   445 aa 428 aa 80.8 %
Onchocerca volvulus Tubulin   445 aa 434 aa 39.9 %
Echinococcus granulosus tubulin gamma 1 chain Tubulin   445 aa 436 aa 34.2 %
Echinococcus multilocularis tubulin alpha chain Tubulin   445 aa 438 aa 34.5 %
Echinococcus granulosus tubulin alpha chain Tubulin   445 aa 434 aa 40.1 %
Leishmania mexicana alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Schistosoma mansoni alpha tubulin Tubulin   445 aa 434 aa 39.4 %
Loa Loa (eye worm) alpha-tubulin Tubulin   445 aa 440 aa 38.2 %
Plasmodium falciparum tubulin epsilon chain, putative Tubulin   445 aa 461 aa 27.8 %
Onchocerca volvulus Tubulin   445 aa 433 aa 39.0 %
Trichomonas vaginalis tubulin gamma chain, putative Tubulin   445 aa 415 aa 33.5 %
Schistosoma mansoni tubulin subunit epsilon Tubulin   445 aa 464 aa 31.5 %
Trypanosoma brucei gambiense alpha tubulin Tubulin   445 aa 434 aa 40.8 %
Onchocerca volvulus 60S ribosomal protein L13 homolog Tubulin   445 aa 430 aa 91.9 %
Plasmodium falciparum alpha tubulin 1 Tubulin   445 aa 434 aa 40.8 %
Brugia malayi Tubulin beta-1 chain Tubulin   445 aa 429 aa 87.9 %
Leishmania major epsilon tubulin, putative Tubulin   445 aa 465 aa 30.3 %
Trypanosoma brucei epsilon tubulin Tubulin   445 aa 446 aa 29.4 %
Echinococcus granulosus tubulin alpha 3 chain Tubulin   445 aa 434 aa 40.1 %
Echinococcus multilocularis tubulin alpha 1C chain Tubulin   445 aa 434 aa 40.6 %
Trypanosoma brucei gambiense epsilon tubulin Tubulin   445 aa 446 aa 29.4 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Echinococcus granulosus Tubulin alpha 1 chain Tubulin   445 aa 434 aa 40.8 %
Echinococcus granulosus alpha tubulin Tubulin   445 aa 422 aa 29.9 %
Toxoplasma gondii alpha tubulin TUBA1 Tubulin   445 aa 440 aa 40.5 %
Plasmodium vivax tubulin epsilon chain, putative Tubulin   445 aa 444 aa 28.2 %
Trypanosoma brucei tubulin gamma chain Tubulin   445 aa 436 aa 33.5 %
Schistosoma japonicum Tubulin alpha chain, putative Tubulin   445 aa 457 aa 36.8 %
Echinococcus multilocularis tubulin alpha chain Tubulin   445 aa 433 aa 33.5 %
Echinococcus granulosus Tubulin beta 2C chain Tubulin   445 aa 430 aa 95.1 %
Echinococcus granulosus tubulin alpha 1C chain Tubulin   445 aa 434 aa 40.8 %
Echinococcus multilocularis Tubulin alpha 1 chain Tubulin   445 aa 434 aa 40.3 %
Echinococcus multilocularis tubulin alpha Tubulin   445 aa 443 aa 30.5 %
Trichomonas vaginalis tubulin beta chain, putative Tubulin   445 aa 434 aa 39.6 %
Plasmodium yoelii tubulin gamma chain Tubulin   445 aa 438 aa 32.9 %
Leishmania major alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Leishmania infantum alpha tubulin Tubulin   445 aa 434 aa 40.6 %
Echinococcus multilocularis peroxisome assembly protein 26 Tubulin   445 aa 438 aa 29.0 %
Schistosoma japonicum Tubulin alpha-1 chain, putative Tubulin   445 aa 439 aa 39.4 %
Entamoeba histolytica tubulin alpha chain, putative Tubulin   445 aa 439 aa 35.8 %
Giardia lamblia Gamma tubulin Tubulin   445 aa 460 aa 32.2 %
Neospora caninum hypothetical protein Tubulin   445 aa 430 aa 89.8 %
Leishmania donovani alpha tubulin Tubulin   445 aa 434 aa 40.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1167 0.5831 1
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0033 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1977 1 1
Loa Loa (eye worm) hypothetical protein 0.1977 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1943 0.9828 0.9828
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0033 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0033 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1977 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1943 0.9828 0.9828
Giardia lamblia Hypothetical protein 0.1167 0.5831 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1943 0.9828 0.9828
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0033 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0033 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0033 0 0.5
Mycobacterium leprae probable isochorismate synthase EntC 0.0033 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0843 0.4169 0.4169
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1943 0.9828 0.9828
Toxoplasma gondii phosphoglycerate mutase 0.0033 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0 0.5
Brugia malayi phosphoglycerate mutase family protein 0.0033 0 0.5
Plasmodium falciparum phosphoglucomutase-2 0.0033 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1977 1 1
Onchocerca volvulus 0.1977 1 1
Plasmodium vivax phosphoglucomutase-2, putative 0.0033 0 0.5
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0033 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0033 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0033 0 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0033 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0843 0.4169 0.4169
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0033 0 0.5
Giardia lamblia Hypothetical protein 0.1167 0.5831 0.5
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0033 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0033 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0843 0.4169 0.4169
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0033 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0033 0 0.5
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0033 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0033 0 0.5
Mycobacterium leprae Possible phosphoglycerate mutase 0.0033 0 0.5
Mycobacterium ulcerans hypothetical protein 0.1167 0.5831 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1167 0.5831 1
Brugia malayi phosphoglycerate mutase family protein 0.0033 0 0.5
Plasmodium vivax phosphoglycerate mutase, putative 0.0033 0 0.5
Treponema pallidum phosphoglyceromutase 0.0033 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0033 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0033 0 0.5
Plasmodium falciparum phosphoglycerate mutase, putative 0.0033 0 0.5
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1977 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0033 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0033 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0033 0 0.5
Brugia malayi UBASH3A protein homolog 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1133 0.566 0.566
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1943 0.9828 0.9828
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0033 0 0.5
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0033 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0843 0.4169 0.4169
Mycobacterium tuberculosis Conserved protein 0.0033 0 0.5
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0033 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1977 1 1
Schistosoma mansoni 6-phosphofructokinase 0.1977 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 108.5 nM Cytotoxicity against hormone-independent human MDA-MB-231 cells assessed as growth inhibition by MTS assay ChEMBL. 23790539
IC50 (binding) = 19.14 uM Inhibition of porcine brain tubulin polymerization ChEMBL. 23790539

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23790539

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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