Detailed information for compound 583303

Basic information

Technical information
  • TDR Targets ID: 583303
  • Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophe nyl)methoxy]ethyl]imidazole; [2-[(6S,8S,10S,1 1S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-1 0,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17 -octahydro-6H-cyclopenta[a]phenanthren-17-yl] -2-oxo-ethyl] pentanoate; nitric acid
  • MW: 957.71 | Formula: C45H51Cl4F2N3O9
  • H donors: 2 H acceptors: 8 LogP: 9.8 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl.[O-][N+](=O)O.CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)C1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F
  • InChi: 1S/C27H36F2O5.C18H14Cl4N2O.HNO3/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3;19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3;1-8,11,18H,9-10H2;(H,2,3,4)/t15-,17+,18+,20+,22+,24-,25+,26+,27?;;/m1../s1
  • InChiKey: UPINRYVXYNYCOF-UESYANRNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid; pentanoic acid [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • 1-[2-(2,6-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid; valeric acid [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate; nitric acid
  • Travocort
  • 78940-01-9
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16-methyl-21-((1-oxopentyl)oxy)-, (6alpha,11beta,16alpha)-, mixt. with 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate

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 lysosomal alpha glucosidase 0.0973 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0555 0.0393
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0165 0.1395 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0555 0.0393
Trichomonas vaginalis glycogen debranching enzyme, putative 0.015 0.1241 0.3291
Schistosoma mansoni microtubule-associated protein tau 0.0708 0.7184 0.7761
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.2828 1
Onchocerca volvulus 0.0601 0.6037 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0165 0.1395 0.3943
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0299 0.2828 0.2581
Echinococcus multilocularis ceramide glucosyltransferase 0.0553 0.5529 0.5375
Brugia malayi Glycosyl hydrolases family 31 protein 0.0086 0.0555 0.0555
Schistosoma mansoni bile acid beta-glucosidase-related 0.0241 0.221 0.2126
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.2828 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.1395 0.1395
Loa Loa (eye worm) hypothetical protein 0.0163 0.1375 0.1078
Schistosoma mansoni hypothetical protein 0.0109 0.0796 0.0525
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0555 0.0393
Echinococcus granulosus glycogen debranching enzyme 0.015 0.1241 0.0938
Schistosoma mansoni bile acid beta-glucosidase-related 0.0241 0.221 0.2126
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0165 0.1395 0.3943
Leishmania major alpha glucosidase II subunit, putative 0.0165 0.1395 1
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.2828 1
Echinococcus granulosus microtubule associated protein 2 0.0708 0.7184 0.7087
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0333 0.0333
Loa Loa (eye worm) ceramide glucosyltransferase 0.0553 0.5529 0.5375
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.1845 0.5844
Onchocerca volvulus Glucosylceramidase homolog 0.0196 0.1732 0.2147
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.1395 0.1098
Echinococcus multilocularis lysosomal alpha glucosidase 0.0973 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0165 0.1395 0.3943
Echinococcus multilocularis glycogen debranching enzyme 0.015 0.1241 0.0938
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0086 0.0555 0.0393
Echinococcus granulosus ceramide glucosyltransferase 0.0553 0.5529 0.5375
Echinococcus granulosus non lysosomal glucosylceramidase 0.0241 0.221 0.1941
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0241 0.221 0.1941
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0073 0.042 0.0089
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.2828 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0086 0.0555 0.0393
Schistosoma mansoni ceramide glucosyltransferase 0.0553 0.5529 0.5886
Brugia malayi RNA binding protein 0.0065 0.0333 0.0333
Trichomonas vaginalis alpha-glucosidase, putative 0.0165 0.1395 0.3943
Trichomonas vaginalis alpha-glucosidase, putative 0.0165 0.1395 0.3943
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0299 0.2828 0.2828
Giardia lamblia Ceramide glucosyltransferase 0.0251 0.231 1
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Entamoeba histolytica glycogen debranching enzyme, putative 0.015 0.1241 0.8162
Schistosoma mansoni alpha-glucosidase 0.0894 0.916 1
Schistosoma mansoni ceramide glucosyltransferase 0.0553 0.5529 0.5886
Loa Loa (eye worm) hypothetical protein 0.015 0.1241 0.0938
Trichomonas vaginalis alpha-glucosidase, putative 0.0165 0.1395 0.3943
Brugia malayi MH2 domain containing protein 0.0123 0.0946 0.0946
Onchocerca volvulus Huntingtin homolog 0.0126 0.098 0.0775
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0165 0.1395 0.3943
Loa Loa (eye worm) hypothetical protein 0.0126 0.098 0.0669
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0553 0.5529 0.9073
Trypanosoma cruzi hypothetical protein, conserved 0.0165 0.1395 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.098 0.0669
Trichomonas vaginalis alpha-glucosidase, putative 0.0165 0.1395 0.3943
Schistosoma mansoni alpha glucosidase 0.0165 0.1395 0.1203
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0946 0.0634
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Brugia malayi hypothetical protein 0.0126 0.098 0.098
Echinococcus multilocularis bile acid beta glucosidase 0.0241 0.221 0.1941
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0555 0.0393
Echinococcus multilocularis neutral alpha glucosidase AB 0.0165 0.1395 0.1098
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.015 0.1241 0.1241
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0086 0.0555 0.0393
Echinococcus granulosus neutral alpha glucosidase AB 0.0165 0.1395 0.1098
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0165 0.1395 1
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.1732 0.5368
Brugia malayi Ceramide glucosyltransferase 0.0553 0.5529 0.5529
Trypanosoma cruzi hypothetical protein, conserved 0.0165 0.1395 1
Brugia malayi TAR-binding protein 0.0065 0.0333 0.0333
Onchocerca volvulus Huntingtin homolog 0.0126 0.098 0.0775
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.1845 0.5844
Loa Loa (eye worm) hypothetical protein 0.0086 0.0555 0.0229
Echinococcus multilocularis microtubule associated protein 2 0.0708 0.7184 0.7087
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0165 0.1395 1
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.2828 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0973 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0165 0.1395 0.3943
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.2828 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0555 0.0393
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0946 0.0634
Schistosoma mansoni hypothetical protein 0.0193 0.1697 0.1545
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0973 1 1
Echinococcus granulosus bile acid beta glucosidase 0.0241 0.221 0.1941
Schistosoma mansoni alpha-glucosidase 0.0894 0.916 1
Trypanosoma brucei glucosidase, putative 0.0165 0.1395 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.015 0.1241 0.3291

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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