Detailed information for compound 1527883

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1284.64 | Formula: C34H59NaO38P6
  • H donors: 18 H acceptors: 24 LogP: -12.13 Rotable bonds: 30
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@H]1OC([C@H]([C@H]1O[C@@H]1OC(CO)[C@@H](C([C@@H]1O)OP(=O)(O)O)OP(=O)(O)[O-])OP(=O)(O)O)OCCCc1ccc(cc1)CCCOC1O[C@@H]([C@@H]([C@@H]1OP(=O)(O)O)O[C@@H]1OC(CO)[C@@H](C([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)CO.[Na+]
  • InChi: 1S/C34H60O38P6.Na/c35-11-17-23(65-31-21(39)27(69-75(47,48)49)25(19(13-37)61-31)67-73(41,42)43)29(71-77(53,54)55)33(63-17)59-9-1-3-15-5-7-16(8-6-15)4-2-10-60-34-30(72-78(56,57)58)24(18(12-36)64-34)66-32-22(40)28(70-76(50,51)52)26(20(14-38)62-32)68-74(44,45)46;/h5-8,17-40H,1-4,9-14H2,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58);/q;+1/p-1/t17-,18-,19?,20?,21+,22+,23+,24+,25+,26+,27?,28?,29+,30+,31+,32+,33?,34?;/m1./s1
  • InChiKey: VJTQZLVEEQEYFF-YWOATALLSA-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
Loa Loa (eye worm) hypothetical protein 0.0013 0.013 0.0083
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0047 0.0047
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0404 0.0359
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0171 0.0125
Schistosoma mansoni coup transcription factor 0.001 0.0047 0.0047
Echinococcus multilocularis dihydrofolate reductase 0.0371 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.013 0.013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0072 0.316
Echinococcus multilocularis lamin dm0 0.0028 0.0528 0.0528
Schistosoma mansoni hypothetical protein 0.013 0.3355 0.3355
Brugia malayi intermediate filament protein 0.0028 0.0528 0.0484
Loa Loa (eye worm) hypothetical protein 0.0028 0.0528 0.0484
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0047 0.0047
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Brugia malayi Cathepsin L-like precursor 0.0011 0.0072 0.0025
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.3355 0.3355
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0047 0.0047
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.013 0.013
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0047 0.0047
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0047 0.0047
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0047 0.0047
Onchocerca volvulus 0.0017 0.0227 0.3738
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0227 0.0227
Brugia malayi Cathepsin L-like precursor 0.0017 0.0227 0.0181
Leishmania major cathepsin L-like protease 0.0065 0.1544 0.3822
Entamoeba histolytica cysteine protease, putative 0.0017 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0116 0.0069
Echinococcus granulosus intermediate filament protein 0.0028 0.0528 0.0528
Onchocerca volvulus 0.0028 0.0528 1
Schistosoma mansoni thyroid hormone receptor 0.0141 0.3644 0.3644
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0227 0.0181
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0227 0.0227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0371 1 1
Onchocerca volvulus 0.0011 0.0072 0.0521
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0047 0.0047
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0227 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0072 0.0025
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0528 0.0484
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0142 0.3674 1
Schistosoma mansoni lamin 0.0028 0.0528 0.0528
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Brugia malayi Dihydrofolate reductase 0.0371 1 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0528 0.0528
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.3644 0.3644
Onchocerca volvulus 0.0017 0.0227 0.3738
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0227 0.0227
Brugia malayi Cathepsin L-like precursor 0.0017 0.0227 0.0181
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Brugia malayi Cathepsin L-like precursor 0.0011 0.0072 0.0025
Loa Loa (eye worm) hypothetical protein 0.0011 0.0072 0.0025
Schistosoma mansoni nuclear hormone receptor 0.001 0.0047 0.0047
Echinococcus granulosus cathepsin l1 0.0011 0.0072 0.0072
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0072 0.316
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.1389 0.3373
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0227 0.0227
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0047 0.0047
Echinococcus granulosus lamin 0.0028 0.0528 0.0528
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.1544 0.3822
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.1544 0.3822
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0047 0.0047
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0142 0.3674 1
Leishmania major cathepsin L-like protease 0.0065 0.1544 0.3822
Onchocerca volvulus 0.0017 0.0227 0.3738
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0047 0.0047
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0142 0.3674 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0227 0.0181
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0227 0.0181
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0047 0.0047
Schistosoma mansoni dihydrofolate reductase 0.0371 1 1
Onchocerca volvulus 0.0017 0.0227 0.3738
Onchocerca volvulus 0.0017 0.0227 0.3738
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0227 0.3738
Onchocerca volvulus 0.0028 0.0528 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0011 0.0072 0.0025
Echinococcus granulosus lamin dm0 0.0028 0.0528 0.0528
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis cysteine protease 0.0017 0.0227 0.0227
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0047 0.0047
Loa Loa (eye worm) fibroinase 0.0017 0.0227 0.0181
Loa Loa (eye worm) cysteine protease 0.0017 0.0227 0.0181
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0072 0.0072
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0227 0.0227
Onchocerca volvulus 0.0017 0.0227 0.3738
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0047 0.0047
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0047 0.0047
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0171 0.0125
Echinococcus multilocularis cysteine protease 0.0017 0.0227 0.0227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.1162 0.2713
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0011 0.0072 0.0025
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0047 0.0047
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0371 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0528 0.0484
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0227 0.0227
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0227 0.3738
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0227 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0528 0.0484
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0227 0.0227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis musashi 0.0028 0.0528 0.0528
Echinococcus granulosus dihydrofolate reductase 0.0371 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0142 0.3674 1
Echinococcus granulosus cathepsin l1 0.0017 0.0227 0.0227
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0227 0.0227
Brugia malayi cathepsin L-like precursor 0.0011 0.0072 0.0025
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.1544 0.3822
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0047 0.0047
Echinococcus granulosus FTZ F1 alpha 0.001 0.0047 0.0047
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0142 0.3674 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0227 0.0181
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0227 1
Echinococcus multilocularis lamin 0.0028 0.0528 0.0528
Loa Loa (eye worm) dihydrofolate reductase 0.0371 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0227 0.0181
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.1544 0.3822
Leishmania major cathepsin L-like protease 0.0065 0.1544 0.3822
Brugia malayi Cathepsin L-like precursor 0.0017 0.0227 0.0181
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0047 0.0047
Schistosoma mansoni lamin 0.0028 0.0528 0.0528
Loa Loa (eye worm) hypothetical protein 0.0013 0.0116 0.0069
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0047 0.0047
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0514 0.047
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0047 0.0047
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0227 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0142 0.3674 1
Schistosoma mansoni thyroid hormone receptor 0.0141 0.3644 0.3644
Onchocerca volvulus 0.0017 0.0227 0.3738
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0227 0.3738
Loa Loa (eye worm) hypothetical protein 0.0017 0.0227 0.0181
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0371 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.3355 0.3355
Loa Loa (eye worm) ctsf protein 0.0017 0.0227 0.0181
Chlamydia trachomatis dihydrofolate reductase 0.0371 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0047 0.0047
Brugia malayi Cathepsin L-like precursor 0.0017 0.0227 0.0181
Brugia malayi Cytochrome P450 family protein 0.0023 0.0404 0.0359

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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