Detailed information for compound 270031

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 742.897 | Formula: C36H48KO10PS
  • H donors: 0 H acceptors: 6 LogP: 8.99 Rotable bonds: 22
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(OP(=O)(C(S(=O)(=O)[O-])CCC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC(OC(=O)c1ccccc1)C)OC(=O)c1ccccc1.[K+]
  • InChi: 1S/C36H49O10PS.K/c1-27(2)17-15-19-29(4)21-16-20-28(3)18-13-14-26-34(48(40,41)42)47(39,45-30(5)43-35(37)32-22-9-7-10-23-32)46-31(6)44-36(38)33-24-11-8-12-25-33;/h7-12,17-18,21-25,30-31,34H,13-16,19-20,26H2,1-6H3,(H,40,41,42);/q;+1/p-1/b28-18+,29-21+;
  • InChiKey: SMDQAFZXKRSCJK-JYJJPIBCSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tubulin epsilon chain 0.01 0.0205 0.1949
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.019 0.0419 0.043
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.019 0.0419 0.043
Brugia malayi Tubulin beta chain 0.0057 0.01 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-49 0.019 0.0419 0.043
Brugia malayi Nuclear hormone receptor family member nhr-41 0.019 0.0419 0.043
Loa Loa (eye worm) hypothetical protein 0.01 0.0204 0.0209
Echinococcus multilocularis hypothetical protein 0.014 0.0301 0.2859
Brugia malayi Tubulin beta chain 0.0044 0.0068 0.007
Loa Loa (eye worm) DR-78 0.0089 0.0178 0.0183
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.019 0.0419 0.399
Loa Loa (eye worm) tubulin alpha chain 0.014 0.0301 0.0308
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0452 0.1051 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0185 0.0409 0.3893
Loa Loa (eye worm) tubulin alpha 2 0.004 0.0059 0.006
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.019 0.0419 0.399
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0089 0.0178 0.1698
Brugia malayi conserved hypotetical protein 0.0089 0.0178 0.0183
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.019 0.0419 0.399
Schistosoma mansoni retinoid-x-receptor (RXR) 0.01 0.0204 0.1943
Loa Loa (eye worm) hypothetical protein 0.014 0.0301 0.0308
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.019 0.0419 0.043
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0185 0.0409 0.3893
Treponema pallidum cell division protein FtsZ 0.0044 0.0068 0.5
Echinococcus multilocularis tubulin alpha chain 0.014 0.0301 0.2859
Plasmodium vivax tubulin beta chain, putative 0.0185 0.0409 0.3469
Brugia malayi Nuclear hormone receptor-like 1 0.01 0.0204 0.0209
Schistosoma mansoni tubulin subunit beta 0.0044 0.0068 0.0649
Toxoplasma gondii beta-1 tubulin, putative 0.0185 0.0409 0.3469
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0089 0.0178 0.0183
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.019 0.0419 0.399
Trypanosoma brucei alpha tubulin, putative 0.0057 0.01 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-14 0.019 0.0419 0.043
Brugia malayi beta-tubulin, identical 0.0185 0.0409 0.0419
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Echinococcus granulosus FTZ F1 alpha 0.019 0.0419 0.399
Echinococcus granulosus tubulin alpha chain 0.014 0.0301 0.2859
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Trichomonas vaginalis tubulin gamma chain, putative 0.01 0.0205 0.139
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0089 0.0178 0.1698
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Schistosoma mansoni tubulin subunit beta 0.0185 0.0409 0.3893
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Trichomonas vaginalis tubulin beta chain, putative 0.014 0.0301 0.2364
Echinococcus multilocularis Tubulin alpha 1 chain 0.014 0.0301 0.2859
Schistosoma mansoni steroid hormone receptor ad4bp 0.019 0.0419 0.399
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.01 0.0204 0.1943
Echinococcus multilocularis tubulin delta chain 0.0044 0.0068 0.0649
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0452 0.1051 1
Giardia lamblia Kinase, CMGC GSK 0.0452 0.1051 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.014 0.0301 0.2364
Brugia malayi nuclear hormone receptor family member odr-7 0.0089 0.0178 0.0183
Toxoplasma gondii beta-tubulin, putative 0.0185 0.0409 0.3469
Schistosoma mansoni tubulin subunit gamma 0.01 0.0205 0.1949
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.019 0.0419 0.399
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Echinococcus granulosus tubulin alpha 3 chain 0.014 0.0301 0.2859
Trichomonas vaginalis tubulin, putative 0.0057 0.01 0.0323
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Trichomonas vaginalis tubulin, putative 0.0057 0.01 0.0323
Brugia malayi Tubulin beta-1 chain 0.0185 0.0409 0.0419
Echinococcus granulosus peroxisome assembly protein 26 0.014 0.0301 0.2859
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0452 0.1051 0.1077
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.019 0.0419 0.043
Loa Loa (eye worm) hypothetical protein 0.0024 0.0021 0.0022
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Schistosoma mansoni tubulin subunit alpha 0.014 0.0301 0.2859
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.019 0.0419 0.399
Trypanosoma brucei tubulin gamma chain 0.01 0.0205 0.139
Toxoplasma gondii beta tubulin 0.0185 0.0409 0.3469
Loa Loa (eye worm) nuclear hormone receptor 0.0089 0.0178 0.0183
Brugia malayi Immunoglobulin I-set domain containing protein 0.0248 0.0559 0.0573
Echinococcus granulosus tubulin epsilon chain 0.01 0.0205 0.1949
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0089 0.0178 0.0079
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Schistosoma mansoni tubulin subunit alpha 0.014 0.0301 0.2859
Loa Loa (eye worm) alpha-tubulin 0.014 0.0301 0.0308
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0089 0.0178 0.1698
Loa Loa (eye worm) hypothetical protein 0.01 0.0204 0.0209
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.019 0.0419 0.399
Schistosoma mansoni tubulin subunit beta 0.0185 0.0409 0.3893
Schistosoma mansoni nuclear receptor 0.0089 0.0178 0.1698
Echinococcus multilocularis tubulin alpha 1C chain 0.014 0.0301 0.2859
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Echinococcus granulosus neuroglian 0.0019 0.0009 0.0089
Brugia malayi Tubulin alpha-2 chain 0.014 0.0301 0.0308
Schistosoma mansoni thyroid hormone receptor 0.019 0.0419 0.399
Mycobacterium leprae cell division protein FtsZ 0.0044 0.0068 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.019 0.0419 0.043
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0452 0.1051 1
Echinococcus granulosus tubulin alpha chain 0.014 0.0301 0.2859
Brugia malayi Tubulin alpha chain 0.014 0.0301 0.0308
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.01 0.0204 0.0209
Brugia malayi tailless protein 0.0089 0.0178 0.0183
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0248 0.0559 0.0573
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Loa Loa (eye worm) tubulin beta chain 0.0044 0.0068 0.007
Echinococcus granulosus Tubulin alpha 1 chain 0.014 0.0301 0.2859
Echinococcus granulosus tubulin alpha chain 0.014 0.0301 0.2859
Echinococcus granulosus tubulin subunit beta 0.0185 0.0409 0.3893
Brugia malayi photoreceptor-specific nuclear receptor 0.019 0.0419 0.043
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Echinococcus granulosus tubulin alpha chain 0.014 0.0301 0.2859
Schistosoma mansoni tubulin subunit beta 0.0185 0.0409 0.3893
Trypanosoma brucei beta tubulin 0.0185 0.0409 0.3469
Brugia malayi Tubulin gamma chain 0.01 0.0205 0.021
Loa Loa (eye worm) tubulin beta chain 0.0185 0.0409 0.0419
Brugia malayi Cell division protein ftsZ 0.0044 0.0068 0.007
Echinococcus granulosus retinoic acid receptor rxr beta a 0.019 0.0419 0.399
Echinococcus granulosus tubulin gamma 1 chain 0.01 0.0205 0.1949
Schistosoma mansoni retinoic acid receptor RXR 0.019 0.0419 0.399
Trichomonas vaginalis tubulin alpha chain, putative 0.0057 0.01 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-3 0.019 0.0419 0.043
Giardia lamblia Beta tubulin 0.0185 0.0409 0.3469
Echinococcus granulosus Tubulin beta 2C chain 0.0185 0.0409 0.3893
Echinococcus multilocularis tubulin subunit beta 0.0185 0.0409 0.3893
Plasmodium falciparum alpha tubulin 2 0.014 0.0301 0.2364
Entamoeba histolytica protein kinase domain containing protein 0.0452 0.1051 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0021 0.0022
Trichomonas vaginalis tubulin gamma chain, putative 0.01 0.0205 0.139
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Brugia malayi alpha-tubulin 0.014 0.0301 0.0308
Leishmania major gamma-tubulin 0.01 0.0205 0.139
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0089 0.0178 0.1698
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.01 0.0204 0.1943
Giardia lamblia Beta tubulin 0.0185 0.0409 0.3469
Brugia malayi ecdysone receptor 0.0089 0.0178 0.0183
Echinococcus multilocularis beta tubulin 0.0185 0.0409 0.3893
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Plasmodium falciparum tubulin gamma chain 0.01 0.0205 0.139
Loa Loa (eye worm) alpha-tubulin 0.014 0.0301 0.0308
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Trichomonas vaginalis tubulin alpha chain, putative 0.0057 0.01 0.0323
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0089 0.0178 0.1698
Trypanosoma cruzi alpha tubulin, putative 0.014 0.0301 0.2364
Giardia lamblia Alpha-tubulin 0.014 0.0301 0.2364
Loa Loa (eye worm) BEN-1 protein 0.0185 0.0409 0.0419
Brugia malayi tubulin alpha chain - mouse 0.014 0.0301 0.0308
Brugia malayi nuclear hormone receptor 0.4071 0.9759 1
Brugia malayi nuclear receptor NHR-88 0.0089 0.0178 0.0183
Echinococcus granulosus Tubulin alpha 1 chain 0.014 0.0301 0.2859
Onchocerca volvulus 0.0452 0.1051 0.0961
Loa Loa (eye worm) hypothetical protein 0.002 0.0012 0.0012
Trypanosoma brucei beta tubulin 0.0185 0.0409 0.3469
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0452 0.1051 1
Schistosoma mansoni alpha tubulin 0.014 0.0301 0.2859
Onchocerca volvulus Tyrosine kinase homolog 0.0231 0.052 0.0424
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0452 0.1051 1
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Loa Loa (eye worm) tubulin alpha chain 0.014 0.0301 0.0308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.019 0.0419 0.043
Trypanosoma brucei alpha tubulin 0.014 0.0301 0.2364
Brugia malayi nuclear receptor NHR-67 0.0089 0.0178 0.0183
Echinococcus granulosus roundabout 2 0.0024 0.0021 0.0203
Brugia malayi intracellular kinase 0.0452 0.1051 0.1077
Schistosoma mansoni zinc finger protein 0.0089 0.0178 0.1698
Schistosoma mansoni RAR-like nuclear receptor 0.019 0.0419 0.399
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Giardia lamblia Kinase, CMGC GSK 0.0452 0.1051 1
Echinococcus multilocularis tubulin alpha chain 0.014 0.0301 0.2859
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Plasmodium falciparum alpha tubulin 1 0.014 0.0301 0.2364
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Brugia malayi hypothetical protein 0.0089 0.0178 0.0183
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.019 0.0419 0.399
Trichomonas vaginalis tubulin epsilon chain, putative 0.0185 0.0409 0.3469
Brugia malayi Nuclear hormone receptor family member nhr-25 0.019 0.0419 0.043
Leishmania major epsilon tubulin, putative 0.01 0.0205 0.139
Echinococcus multilocularis Tubulin beta 2C chain 0.0185 0.0409 0.3893
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Loa Loa (eye worm) hypothetical protein 0.01 0.0204 0.0209
Echinococcus multilocularis tubulin alpha chain 0.014 0.0301 0.2859
Schistosoma mansoni tubulin subunit beta 0.0185 0.0409 0.3893
Echinococcus multilocularis Tubulin alpha 1 chain 0.014 0.0301 0.2859
Brugia malayi Nuclear hormone receptor family member nhr-19 0.019 0.0419 0.043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.019 0.0419 0.399
Entamoeba histolytica tubulin family protein 0.0185 0.0409 0.2414
Plasmodium vivax tubulin gamma chain, putative 0.01 0.0205 0.139
Echinococcus granulosus thyroid hormone receptor alpha 0.0089 0.0178 0.1698
Onchocerca volvulus 0.019 0.0419 0.0323
Brugia malayi hypothetical protein 0.0089 0.0178 0.0183
Trypanosoma brucei beta tubulin 0.01 0.0205 0.139
Brugia malayi steroid hormone receptor 0.019 0.0419 0.043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.019 0.0419 0.043
Loa Loa (eye worm) steroid hormone receptor 0.019 0.0419 0.043
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.01 0.0205 0.139
Giardia lamblia Beta tubulin 0.0185 0.0409 0.3469
Loa Loa (eye worm) beta-tubulin 0.0185 0.0409 0.0419
Echinococcus granulosus Tubulin beta 2C chain 0.0185 0.0409 0.3893
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Onchocerca volvulus 0.0226 0.0507 0.0411
Giardia lamblia Gamma tubulin 0.01 0.0205 0.139
Trypanosoma brucei alpha tubulin 0.014 0.0301 0.2364
Echinococcus granulosus Tubulin alpha 1 chain 0.014 0.0301 0.2859
Echinococcus granulosus twitchin 0.0023 0.002 0.0188
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Trypanosoma brucei epsilon tubulin 0.01 0.0205 0.139
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Brugia malayi ecdysteroid receptor 0.019 0.0419 0.043
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.002 0.0012 0.0114
Onchocerca volvulus 0.0089 0.0178 0.0079
Echinococcus multilocularis tubulin beta 1 chain 0.0185 0.0409 0.3893
Loa Loa (eye worm) tubulin beta-2A chain 0.0185 0.0409 0.0419
Loa Loa (eye worm) hypothetical protein 0.3982 0.9544 0.978
Entamoeba histolytica tubulin alpha-1 chain 0.014 0.0301 0.113
Brugia malayi Nuclear hormone receptor family member nhr-19 0.019 0.0419 0.043
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.01 0.0323
Plasmodium falciparum tubulin beta chain 0.0185 0.0409 0.3469
Brugia malayi Nuclear hormone receptor-like 1 0.019 0.0419 0.043
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.019 0.0419 0.399
Echinococcus multilocularis tubulin subunit TubB 0.014 0.0301 0.2859
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0089 0.0178 0.1698
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0083 0.0164 0.0973
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.019 0.0419 0.399
Echinococcus granulosus nuclear receptor 2DBD gamma 0.019 0.0419 0.399
Toxoplasma gondii alpha tubulin TUBA1 0.014 0.0301 0.2364
Schistosoma mansoni tubulin subunit alpha 0.0044 0.0068 0.0649
Echinococcus granulosus tubulin alpha 3 chain 0.014 0.0301 0.2859
Brugia malayi Nuclear hormone receptor-like 1 0.01 0.0204 0.0209
Echinococcus multilocularis tubulin alpha 0.01 0.0205 0.1949
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0452 0.1051 1
Schistosoma mansoni coup transcription factor 0.019 0.0419 0.399
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Echinococcus multilocularis Tubulin beta 2C chain 0.0185 0.0409 0.3893
Brugia malayi nuclear hormone receptor family member nhr-6 0.0089 0.0178 0.0183
Echinococcus granulosus ecdysone induced protein 78C 0.019 0.0419 0.399
Entamoeba histolytica protein kinase, putative 0.0452 0.1051 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Schistosoma mansoni nuclear receptor nhr-48 0.0089 0.0178 0.1698
Trichomonas vaginalis tubulin epsilon chain, putative 0.014 0.0301 0.2364
Schistosoma mansoni tubulin subunit epsilon 0.01 0.0205 0.1949
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0097 0.0196 0.02
Echinococcus multilocularis beta tubulin 0.0185 0.0409 0.3893
Echinococcus granulosus tubulin alpha 0.01 0.0205 0.1949
Trichomonas vaginalis tubulin beta chain, putative 0.014 0.0301 0.2364
Brugia malayi Tubulin alpha-2 chain 0.014 0.0301 0.0308
Trichomonas vaginalis tubulin, putative 0.0185 0.0409 0.3469
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0044 0.0068 0.5
Echinococcus granulosus tubulin beta 1 chain 0.0185 0.0409 0.3893
Brugia malayi orphan nuclear receptor NR2E1 0.0089 0.0178 0.0183
Trichomonas vaginalis tubulin epsilon chain, putative 0.0185 0.0409 0.3469
Schistosoma mansoni alpha tubulin 0.014 0.0301 0.2859
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Echinococcus granulosus tubulin alpha chain 0.014 0.0301 0.2859
Schistosoma mansoni tubulin subunit beta 0.0185 0.0409 0.3893
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Schistosoma mansoni nuclear hormone receptor 0.0089 0.0178 0.1698
Trypanosoma brucei epsilon tubulin 0.01 0.0205 0.139
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.01 0.0204 0.1943
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.019 0.0419 0.043
Trichomonas vaginalis tubulin alpha chain, putative 0.0185 0.0409 0.3469
Brugia malayi Steroid receptor seven-up type 2 0.019 0.0419 0.043
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.019 0.0419 0.399
Trichomonas vaginalis tubulin alpha chain, putative 0.0057 0.01 0.0323
Schistosoma mansoni cell adhesion molecule 0.002 0.0012 0.0114
Loa Loa (eye worm) hypothetical protein 0.0083 0.0164 0.0168
Echinococcus multilocularis ecdysone induced protein 78C 0.019 0.0419 0.399
Echinococcus granulosus tubulin subunit TubB 0.014 0.0301 0.2859
Loa Loa (eye worm) nuclear receptor nhr-7B 0.4071 0.9759 1
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Echinococcus multilocularis FTZ F1 alpha 0.019 0.0419 0.399
Entamoeba histolytica tubulin alpha chain, putative 0.014 0.0301 0.113
Trichomonas vaginalis tubulin beta chain, putative 0.014 0.0301 0.2364
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Schistosoma mansoni Tr4/Tr2 (homologue) 0.019 0.0419 0.399
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0057 0.01 0.0323
Trichomonas vaginalis CMGC family protein kinase 0.0452 0.1051 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0083 0.0164 0.0168
Echinococcus granulosus tubulin alpha 1C chain 0.014 0.0301 0.2859
Loa Loa (eye worm) nuclear receptor NHR-67 0.0089 0.0178 0.0183
Echinococcus multilocularis thyroid hormone receptor alpha 0.019 0.0419 0.399
Loa Loa (eye worm) hypothetical protein 0.0097 0.0196 0.02
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Echinococcus granulosus tubulin delta chain 0.0044 0.0068 0.0649
Echinococcus multilocularis protein kinase shaggy 0.0452 0.1051 1
Echinococcus multilocularis roundabout 2 0.0024 0.0021 0.0203
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Schistosoma mansoni alpha tubulin 0.014 0.0301 0.2859
Schistosoma mansoni nephrin 0.0019 0.0009 0.0089
Echinococcus multilocularis Tubulin beta 2C chain 0.0185 0.0409 0.3893
Trypanosoma cruzi epsilon tubulin, putative 0.01 0.0205 0.139
Brugia malayi tubulin alpha-2 chain 0.014 0.0301 0.0308
Plasmodium vivax tubulin alpha chain, putative 0.014 0.0301 0.2364
Brugia malayi nuclear receptor RXR 0.0089 0.0178 0.0183
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0097 0.0196 0.1297
Echinococcus multilocularis peroxisome assembly protein 26 0.014 0.0301 0.2859
Echinococcus granulosus Tubulin beta 2C chain 0.0185 0.0409 0.3893
Plasmodium vivax glycogen synthase kinase 3, putative 0.0452 0.1051 1
Plasmodium vivax tubulin epsilon chain, putative 0.01 0.0205 0.139
Echinococcus granulosus beta tubulin 0.0185 0.0409 0.3893
Echinococcus granulosus protein kinase shaggy 0.0452 0.1051 1
Giardia lamblia Alpha-tubulin 0.014 0.0301 0.2364
Echinococcus multilocularis Tubulin beta 2C chain 0.0185 0.0409 0.3893
Schistosoma mansoni nuclear hormone receptor 0.019 0.0419 0.399
Brugia malayi Nuclear hormone receptor E75 0.0089 0.0178 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-31 0.019 0.0419 0.043
Plasmodium falciparum tubulin epsilon chain, putative 0.01 0.0205 0.139
Brugia malayi nuclear receptor RXR 0.01 0.0204 0.0209
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Loa Loa (eye worm) hypothetical protein 0.019 0.0419 0.043
Onchocerca volvulus Bile acid receptor homolog 0.019 0.0419 0.0323
Echinococcus granulosus nuclear receptor nhr 48 0.0089 0.0178 0.1698
Trypanosoma cruzi epsilon tubulin, putative 0.01 0.0205 0.139
Echinococcus granulosus Tubulin beta 2C chain 0.0185 0.0409 0.3893
Plasmodium vivax tubulin alpha chain, putative 0.014 0.0301 0.2364
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Trichomonas vaginalis tubulin alpha chain, putative 0.01 0.0205 0.139
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Echinococcus multilocularis tubulin alpha chain 0.014 0.0301 0.2859
Brugia malayi Tubulin alpha chain 0.0044 0.0068 0.007
Brugia malayi Nuclear hormone receptor E75 0.0089 0.0178 0.0183
Trichomonas vaginalis tubulin gamma chain, putative 0.0185 0.0409 0.3469
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Trichomonas vaginalis tubulin beta chain, putative 0.014 0.0301 0.2364
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Echinococcus granulosus tubulin alpha 1C chain 0.014 0.0301 0.2859
Loa Loa (eye worm) tubulin beta-4 chain 0.0185 0.0409 0.0419
Mycobacterium tuberculosis Cell division protein FtsZ 0.0044 0.0068 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.019 0.0419 0.043
Trichomonas vaginalis tubulin beta chain, putative 0.014 0.0301 0.2364
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Loa Loa (eye worm) tubulin alpha-2 chain 0.014 0.0301 0.0308
Brugia malayi nuclear receptor NHR-88 0.019 0.0419 0.043
Schistosoma mansoni tubulin subunit alpha 0.014 0.0301 0.2859
Echinococcus multilocularis nuclear receptor nhr 48 0.0089 0.0178 0.1698
Schistosoma mansoni nuclear receptor 0.0089 0.0178 0.1698
Loa Loa (eye worm) hypothetical protein 0.01 0.0204 0.0209
Loa Loa (eye worm) tubulin beta-1 chain 0.0185 0.0409 0.0419
Schistosoma mansoni thyroid hormone receptor 0.019 0.0419 0.399
Echinococcus multilocularis tubulin alpha 3 chain 0.014 0.0301 0.2859
Mycobacterium ulcerans cell division protein FtsZ 0.0044 0.0068 0.5
Entamoeba histolytica tubulin family protein 0.0185 0.0409 0.2414
Schistosoma mansoni nuclear hormone receptor 0.0089 0.0178 0.1698
Loa Loa (eye worm) tubulin alpha 2 0.0097 0.0196 0.02
Echinococcus granulosus Tubulin beta 2C chain 0.0185 0.0409 0.3893
Brugia malayi Nuclear hormone receptor family member nhr-25 0.019 0.0419 0.043
Toxoplasma gondii alpha-tubulin I, putative 0.014 0.0301 0.2364
Echinococcus granulosus Nuclear hormone receptor HR96 0.0089 0.0178 0.1698
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Plasmodium falciparum glycogen synthase kinase 3 0.0452 0.1051 1
Trichomonas vaginalis tubulin beta chain, putative 0.014 0.0301 0.2364
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0089 0.0178 0.1698
Loa Loa (eye worm) BEN-1 protein 0.0185 0.0409 0.0419
Echinococcus multilocularis tubulin alpha 3 chain 0.014 0.0301 0.2859
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0089 0.0178 0.1698
Loa Loa (eye worm) tubulin alpha 2 0.0097 0.0196 0.02
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Echinococcus granulosus beta tubulin 0.0185 0.0409 0.3893
Echinococcus multilocularis tubulin alpha chain 0.014 0.0301 0.2859
Schistosoma mansoni retinoid-x-receptor (RXR) 0.019 0.0419 0.399
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0089 0.0178 0.1698
Leishmania major alpha tubulin 0.014 0.0301 0.2364
Onchocerca volvulus Protein ultraspiracle homolog 0.019 0.0419 0.0323
Onchocerca volvulus 0.0089 0.0178 0.0079
Echinococcus granulosus alpha tubulin 0.014 0.0301 0.2859
Loa Loa (eye worm) hypothetical protein 0.01 0.0204 0.0209
Echinococcus multilocularis tubulin gamma 1 chain 0.01 0.0205 0.1949
Echinococcus multilocularis Tubulin beta 2C chain 0.0185 0.0409 0.3893
Trypanosoma brucei alpha tubulin 0.014 0.0301 0.2364
Loa Loa (eye worm) hypothetical protein 0.0089 0.0178 0.0183
Trypanosoma brucei alpha tubulin 0.014 0.0301 0.2364
Brugia malayi nuclear hormone receptor 0.019 0.0419 0.043
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.014 0.0301 0.2364
Trypanosoma brucei protein kinase, putative 0.0452 0.1051 1
Trichomonas vaginalis CMGC family protein kinase 0.0452 0.1051 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.019 0.0419 0.399
Entamoeba histolytica protein kinase domain containing protein 0.0452 0.1051 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.014 0.0301 0.2859
Trypanosoma cruzi beta tubulin, putative 0.0185 0.0409 0.3469
Schistosoma mansoni tubulin subunit delta 0.0044 0.0068 0.0649
Echinococcus multilocularis tubulin alpha 1C chain 0.014 0.0301 0.2859
Brugia malayi hypothetical protein 0.01 0.0204 0.0209
Echinococcus granulosus Nuclear hormone receptor HR96 0.0089 0.0178 0.1698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.019 0.0419 0.043
Loa Loa (eye worm) tubulin gamma chain 0.01 0.0205 0.021
Trypanosoma brucei beta tubulin 0.0185 0.0409 0.3469
Schistosoma mansoni tubulin subunit beta 0.0185 0.0409 0.3893
Echinococcus granulosus nuclear receptor 2DBD gamma 0.019 0.0419 0.399
Echinococcus multilocularis neuroglian 0.0019 0.0009 0.0089
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0452 0.1051 0.1077
Trypanosoma brucei beta tubulin 0.0185 0.0409 0.3469
Trypanosoma brucei epsilon tubulin 0.01 0.0205 0.139
Trypanosoma cruzi tubulin gamma chain 0.01 0.0205 0.139
Trichomonas vaginalis tubulin beta chain, putative 0.0185 0.0409 0.3469
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.019 0.0419 0.399
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0089 0.0178 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-40 0.019 0.0419 0.043
Leishmania major beta tubulin 0.0185 0.0409 0.3469
Brugia malayi hypothetical protein 0.01 0.0204 0.0209
Leishmania major alpha tubulin 0.014 0.0301 0.2364

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 uM kg-1 Compound was tested for inhibition of cholesterol biosynthesis in rats by intravenous (iv) dosing; Not determined ChEMBL. 8576906
Inhibition (functional) = -33 % Compound was tested for inhibition of cholesterol biosynthesis in rats by oral dose of 28 microM/Kg ChEMBL. 8576906
Relative esterase susceptibility (functional) = 0.21 Esterase susceptibility was determined from the initial rate of aldehyde release upon incubation of the prodrug with homogenized rat small intestinal mucosa relative to compound 9 ChEMBL. 8576906

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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