Detailed information for compound 1506019

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 831.042 | Formula: C42H74N2O14
  • H donors: 3 H acceptors: 6 LogP: 3.47 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC/C=N\C(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC)O[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]1C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)(C)OC)C)C
  • InChi: 1S/C42H74N2O14/c1-16-18-43-39(49)58-36-27(8)54-30(21-41(36,10)52-15)56-33-25(6)35(57-38-32(46)28(44(12)13)19-23(4)53-38)40(9,51-14)20-22(3)31(45)24(5)34(47)42(11,50)29(17-2)55-37(48)26(33)7/h18,22-30,32-36,38,46-47,50H,16-17,19-21H2,1-15H3/b43-18-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35-,36+,38+,40-,41-,42-/m1/s1
  • InChiKey: SCEUWZKULWXOCB-IXGMZGHESA-N  


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) MH2 domain-containing protein 0.0117 0.9306 0.9306
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.7172 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4509 0.4509
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0816 0.0816
Brugia malayi TAR-binding protein 0.0062 0.4509 0.4509
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3002 0.3304
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.0816 0.0898
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0816 0.0816
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4509 0.4509
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3002 0.3304
Brugia malayi ecdysteroid receptor 0.002 0.0816 0.0816
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0816 0.0816
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0816 0.0816
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3002 0.3002
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.7172 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0816 0.0898
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0816 0.0816
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0816 0.0816
Loa Loa (eye worm) RNA binding protein 0.0062 0.4509 0.4509
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0816 0.0816
Schistosoma mansoni kinase 0.0047 0.3196 0.3517
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0115 0.9086 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0816 0.0898
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0816 0.0898
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0816 0.0816
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4509 0.4962
Giardia lamblia Kinase, PLK 0.0093 0.7172 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0816 0.0816
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.7172 0.7894
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4509 0.4962
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0816 0.0816
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0816 0.0898
Brugia malayi nuclear receptor NHR-88 0.002 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3002 0.3002
Brugia malayi nuclear hormone receptor 0.002 0.0816 0.0816
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0816 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4509 0.4509
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0816 0.0816
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0816 0.0816
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0816 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.7172 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4509 0.4962
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.9306 0.9306
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.7172 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.7172 0.7172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.3002 0.3002
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0816 0.0898
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0816 0.0816
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.7172 0.7172
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0816 0.0816
Brugia malayi steroid hormone receptor 0.002 0.0816 0.0816
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0816 0.0898
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.3002 0.3002
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0816 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0816 0.0816
Echinococcus granulosus FTZ F1 alpha 0.002 0.0816 0.0816
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4509 0.4962
Schistosoma mansoni thyroid hormone receptor 0.002 0.0816 0.0898
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4509 0.4962
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0816 0.0816
Schistosoma mansoni thyroid hormone receptor 0.002 0.0816 0.0898
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0816 0.0816
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.7172 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0816 0.0898
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0816 0.0816
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3002 0.3304
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0816 0.0816
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.7172 0.7172
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0816 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0816 0.0816
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0816 0.0816
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.7172 0.7172
Schistosoma mansoni coup transcription factor 0.002 0.0816 0.0898
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Brugia malayi MH2 domain containing protein 0.0117 0.9306 0.9306
Trypanosoma brucei polo-like protein kinase 0.0093 0.7172 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0816 0.0816
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0816 0.0816
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3002 0.3002
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0816 0.0816
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0816 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0816 0.0898
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0816 0.0816
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0816 0.0898
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0816 0.0816
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0816 0.0816
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0816 0.0816
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.7172 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4509 0.4509
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3002 0.3002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.002 0.0816 0.0816
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0816 0.0816
Brugia malayi RNA binding protein 0.0062 0.4509 0.4509
Echinococcus granulosus tar DNA binding protein 0.0062 0.4509 0.4509

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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