Detailed information for compound 1814180

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.853 | Formula: C19H25ClO3
  • H donors: 0 H acceptors: 2 LogP: 3.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCC1=C(C)C(CC1=O)COC(=O)C[C@H]1[C@H](C1(C)C)/C=C/Cl
  • InChi: 1S/C19H25ClO3/c1-5-6-14-12(2)13(9-17(14)21)11-23-18(22)10-16-15(7-8-20)19(16,3)4/h5,7-8,13,15-16H,1,6,9-11H2,2-4H3/b8-7+/t13?,15-,16+/m1/s1
  • InChiKey: ZJYHPVNEMDTCEK-IBFMDIEVSA-N  

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
Schistosoma mansoni coup transcription factor 0.135 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0312 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-31 0.135 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0713 0.3863 0.3092
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.135 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor-like 1 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0312 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.135 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0312 0 0.5
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Brugia malayi Nuclear hormone receptor E75 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Chlamydia trachomatis dihydrofolate reductase 0.0428 0.1116 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.135 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0713 0.3863 0.3092
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-25 0.135 1 1
Brugia malayi nuclear hormone receptor 0.0637 0.3127 0.2264
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0713 0.3863 0.3092
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.135 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-41 0.135 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0713 0.3863 0.3092
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0713 0.3863 0.3092
Loa Loa (eye worm) nuclear receptor NHR-67 0.0637 0.3127 0.2264
Brugia malayi nuclear hormone receptor family member nhr-6 0.0637 0.3127 0.2264
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.135 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.135 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.135 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0637 0.3127 0.2264
Brugia malayi hypothetical protein 0.0713 0.3863 0.3092
Loa Loa (eye worm) DR-78 0.0637 0.3127 0.2264
Schistosoma mansoni nuclear receptor 0.0637 0.3127 0.2264
Echinococcus granulosus ecdysone induced protein 78C 0.135 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi nuclear receptor NHR-67 0.0637 0.3127 0.2264
Brugia malayi orphan nuclear receptor NR2E1 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.135 1 1
Brugia malayi Steroid receptor seven-up type 2 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0713 0.3863 0.3092
Loa Loa (eye worm) steroid hormone receptor 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Brugia malayi hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi nuclear receptor RXR 0.0637 0.3127 0.2264
Echinococcus granulosus nuclear receptor nhr 48 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-25 0.135 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0428 0.1116 0.5
Brugia malayi nuclear receptor RXR 0.0713 0.3863 0.3092
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0312 0 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.135 1 1
Brugia malayi hypothetical protein 0.0713 0.3863 0.3092
Schistosoma mansoni thyroid hormone receptor 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.135 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0637 0.3127 0.2264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.135 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.135 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.135 1 1
Brugia malayi ecdysone receptor 0.0637 0.3127 0.2264
Brugia malayi nuclear receptor NHR-88 0.0637 0.3127 0.2264
Echinococcus multilocularis nuclear receptor nhr 48 0.0637 0.3127 0.2264
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.135 1 1
Echinococcus granulosus FTZ F1 alpha 0.135 1 1
Schistosoma mansoni nuclear receptor 0.0637 0.3127 0.2264
Schistosoma mansoni thyroid hormone receptor 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-14 0.135 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-1 0.135 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0713 0.3863 0.3092
Schistosoma mansoni nuclear hormone receptor 0.135 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0637 0.3127 0.2264
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.135 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0713 0.3863 0.3092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.135 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0428 0.1116 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor-like 1 0.0713 0.3863 0.3092
Brugia malayi Nuclear hormone receptor-like 1 0.0713 0.3863 0.3092
Brugia malayi tailless protein 0.0637 0.3127 0.2264
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0312 0 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0637 0.3127 0.2264
Brugia malayi photoreceptor-specific nuclear receptor 0.135 1 1
Brugia malayi steroid hormone receptor 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.0713 0.3863 0.3092
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Onchocerca volvulus 0.135 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.135 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0312 0 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0637 0.3127 0.2264
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.135 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0428 0.1116 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.135 1 1
Onchocerca volvulus Bile acid receptor homolog 0.135 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.135 1 1
Schistosoma mansoni nuclear hormone receptor 0.0637 0.3127 0.2264
Echinococcus multilocularis ecdysone induced protein 78C 0.135 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0637 0.3127 0.2264
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.135 1 1
Brugia malayi Nuclear hormone receptor E75 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Brugia malayi conserved hypotetical protein 0.0637 0.3127 0.2264
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0637 0.3127 0.2264
Loa Loa (eye worm) hypothetical protein 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-19 0.135 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.135 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.135 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.135 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.135 1 1
Loa Loa (eye worm) hypothetical protein 0.135 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.135 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.135 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.135 1 1
Brugia malayi nuclear receptor NHR-88 0.135 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0637 0.3127 0.2264
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.135 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.135 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.135 1 1
Brugia malayi hypothetical protein 0.0637 0.3127 0.2264
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.135 1 1
Schistosoma mansoni nuclear hormone receptor 0.0637 0.3127 0.2264
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0713 0.3863 0.3092
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0637 0.3127 0.2264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.135 1 1
Schistosoma mansoni zinc finger protein 0.0637 0.3127 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-49 0.135 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.135 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0637 0.3127 0.2264
Brugia malayi nuclear hormone receptor 0.135 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.135 1 1

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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