Detailed information for compound 1663668

Basic information

Technical information
  • TDR Targets ID: 1663668
  • Name: 126544-47-6
  • MW: 540.688 | Formula: C32H44O7
  • H donors: 1 H acceptors: 4 LogP: 5.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(C)C)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C1CCCCC1
  • InChi: 1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1
  • InChiKey: LUKZNWIVRBCLON-GXOBDPJESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • B-9207-015
  • Alvesco
  • Alvesco (TN)
  • Ciclesonide
  • Ciclesonide (JAN/USAN)
  • D01703
  • BTR-15
  • BTR-15K
  • BY-9010
  • BYK-20426
  • Omnair
  • Omnaris
  • Osonase
  • Osonide
  • TBN-15

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No 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
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) PAN domain-containing protein 0.0019 0.0047 0.0132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.018
Giardia lamblia DINP protein human, muc B family 0.0025 0.0248 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.059 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0134 0.3562 0.3562
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0037 0.0595 0.1948
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Toxoplasma gondii PAN domain-containing protein 0.0293 0.8447 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0595 0.0595
Onchocerca volvulus 0.0019 0.0047 0.0132
Entamoeba histolytica hypothetical protein 0.0037 0.059 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0037 0.0595 0.0595
Onchocerca volvulus 0.0019 0.0047 0.0132
Onchocerca volvulus Bile acid receptor homolog 0.0037 0.0595 0.1678
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0064 0.018
Brugia malayi photoreceptor-specific nuclear receptor 0.0037 0.0595 0.1948
Echinococcus granulosus single minded 2 0.0046 0.0871 0.0871
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0986 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0037 0.0595 0.1948
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0047 0.0132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Schistosoma mansoni aryl hydrocarbon receptor 0.018 0.4965 0.8664
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0986 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Entamoeba histolytica hypothetical protein 0.0037 0.059 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0004 0.001
Echinococcus multilocularis ecdysone induced protein 78C 0.0037 0.0595 0.0595
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0037 0.0595 0.1678
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0025 0.0248 1
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0595 0.1038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0037 0.0595 0.1678
Mycobacterium ulcerans DNA polymerase IV 0.005 0.0986 1
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0037 0.0595 0.1038
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0004 0.0012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0595 0.1948
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.059 0.103
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0037 0.0595 0.1678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0037 0.0595 0.1678
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Loa Loa (eye worm) hypothetical protein 0.0117 0.3053 0.8611
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0004 0.0004
Schistosoma mansoni cellular tumor antigen P53 0.005 0.101 0.1763
Loa Loa (eye worm) hypothetical protein 0.0133 0.3546 1
Schistosoma mansoni retinoic acid receptor RXR 0.0137 0.3667 0.6399
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0595 0.1038
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0595 0.1038
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0037 0.0595 0.0595
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.018
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0595 0.1948
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.018
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0004 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0037 0.0595 0.1678
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0595 0.0595
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0137 0.3667 0.3667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0037 0.0595 0.1678
Echinococcus multilocularis aryl hydrocarbon receptor 0.0134 0.3562 0.3562
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.1764 0.1764
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0595 0.1948
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.018
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0037 0.0595 0.1948
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0595 0.1948
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0004 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0037 0.0595 0.1678
Onchocerca volvulus 0.0019 0.0047 0.0132
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0595 0.1038
Onchocerca volvulus 0.0046 0.0888 0.2504
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0025 0.0248 1
Onchocerca volvulus 0.0133 0.3546 1
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0047 0.0132
Onchocerca volvulus 0.0019 0.0047 0.0132
Brugia malayi hypothetical protein 0.0019 0.0064 0.0209
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0064 0.0111
Loa Loa (eye worm) hypothetical protein 0.005 0.101 0.2849
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0064 0.0111
Brugia malayi bHLH-PAS transcription factor 0.0046 0.0871 0.2854
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Brugia malayi nuclear receptor RXR 0.0019 0.0064 0.0209
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.0986 1
Trypanosoma brucei unspecified product 0.0042 0.0743 0.7519
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0037 0.0595 0.0595
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Schistosoma mansoni hypothetical protein 0.0037 0.059 0.103
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0618 0.6246
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0047 0.0132
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Loa Loa (eye worm) hypothetical protein 0.0038 0.0618 0.1741
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Onchocerca volvulus 0.0019 0.0047 0.0132
Echinococcus multilocularis dna polymerase kappa 0.005 0.0986 0.0986
Onchocerca volvulus 0.0037 0.0595 0.1678
Schistosoma mansoni hypothetical protein 0.0205 0.5731 1
Brugia malayi hypothetical protein 0.0037 0.059 0.1933
Echinococcus granulosus FTZ F1 alpha 0.0037 0.0595 0.0595
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.3073 0.3073
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.059 0.059
Onchocerca volvulus Protein ultraspiracle homolog 0.0037 0.0595 0.1678
Onchocerca volvulus 0.005 0.101 0.2849
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0037 0.0595 0.0595
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0618 0.6246
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0743 0.7519
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0037 0.0595 0.0595
Echinococcus multilocularis tumor protein p63 0.0344 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0037 0.0595 0.1038
Onchocerca volvulus 0.0019 0.0047 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0037 0.0595 0.1948
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0595 0.1948
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.1764 0.1764
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0037 0.0595 0.1948
Onchocerca volvulus 0.0019 0.0047 0.0132
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Brugia malayi Steroid receptor seven-up type 2 0.0037 0.0595 0.1948
Brugia malayi steroid hormone receptor 0.0037 0.0595 0.1948
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0986 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Schistosoma mansoni DNA polymerase eta 0.0017 0.0004 0.0006
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0037 0.0595 0.0595
Brugia malayi nuclear hormone receptor 0.0037 0.0595 0.1948
Mycobacterium ulcerans DNA polymerase IV 0.005 0.0986 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.307 0.8657
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0081 0.0792
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.001
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0986 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0037 0.0595 0.1038
Loa Loa (eye worm) steroid hormone receptor 0.0037 0.0595 0.1678
Schistosoma mansoni single-minded 0.0062 0.1364 0.238
Echinococcus granulosus dna polymerase eta 0.0017 0.0004 0.0004
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0064 0.0064
Schistosoma mansoni coup transcription factor 0.0037 0.0595 0.1038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0037 0.0595 0.1678
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0595 0.1948
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0047 0.0132
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Echinococcus granulosus dna polymerase kappa 0.005 0.0986 0.0986
Brugia malayi PAS domain containing protein 0.0062 0.1364 0.4467
Brugia malayi hypothetical protein 0.0019 0.0064 0.0209
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0037 0.0595 0.0595
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0037 0.0595 0.0595
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0004 0.0006
Echinococcus granulosus ecdysone induced protein 78C 0.0037 0.0595 0.0595
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0081 0.0792
Schistosoma mansoni RAR-like nuclear receptor 0.0037 0.0595 0.1038
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Echinococcus multilocularis geminin 0.0205 0.5731 0.5731
Brugia malayi ecdysteroid receptor 0.0037 0.0595 0.1948
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.005 0.0986 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0037 0.0595 0.0595
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0064 0.0209
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.059 0.059
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0064 0.0209
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0037 0.0595 0.1038
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0037 0.0595 0.1948
Onchocerca volvulus 0.0019 0.0047 0.0132
Trichomonas vaginalis DNA polymerase eta, putative 0.005 0.0986 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0081 0.0792
Echinococcus multilocularis transfer RNA-Lys 0.0046 0.0871 0.0871
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Brugia malayi PAN domain containing protein 0.0019 0.0047 0.0153
Onchocerca volvulus 0.0019 0.0047 0.0132
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0117 0.3053 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0595 0.0595
Leishmania major DNA polymerase kappa, putative 0.0025 0.0248 1
Echinococcus granulosus geminin 0.0205 0.5731 0.5731
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0248 0.2481
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0037 0.0595 0.1038
Toxoplasma gondii PAN domain-containing protein 0.0293 0.8447 1
Schistosoma mansoni hypothetical protein 0.0205 0.5731 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0037 0.0595 0.0595
Brugia malayi polk-prov protein 0.0038 0.0618 0.2022
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0037 0.0595 0.1038
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0037 0.0595 0.1948
Entamoeba histolytica hypothetical protein 0.0037 0.059 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0595 0.1948
Onchocerca volvulus 0.0019 0.0047 0.0132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0132
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.0986 1
Brugia malayi nuclear receptor NHR-88 0.0037 0.0595 0.1948
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0595 0.0595
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0986 1
Echinococcus multilocularis dna polymerase eta 0.0017 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0037 0.0595 0.1678
Onchocerca volvulus 0.0019 0.0047 0.0132

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0133 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.015 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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