Detailed information for compound 1734655

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.426 | Formula: C23H23FO2
  • H donors: 1 H acceptors: 2 LogP: 5.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)C(C)(C)C)/c2c1cc(F)cc2
  • InChi: 1S/C23H23FO2/c1-14-19(11-15-5-7-16(8-6-15)23(2,3)4)18-10-9-17(24)12-21(18)20(14)13-22(25)26/h5-12H,13H2,1-4H3,(H,25,26)/b19-11-
  • InChiKey: WIPCLQSLBBGJGI-ODLFYWEKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 biogenic amine (octopamine/dopamine) receptor 0.0017 0.0043 0.0043
Schistosoma mansoni vesicular amine transporter 0.0024 0.0234 0.0234
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0145 0.0145
Schistosoma mansoni amine GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0043 0.0043
Schistosoma mansoni cell adhesion molecule 0.0032 0.0436 0.0436
Schistosoma mansoni adenoreceptor 0.0017 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0145 0.0327
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Loa Loa (eye worm) hypothetical protein 0.0039 0.0593 0.0574
Loa Loa (eye worm) hypothetical protein 0.0024 0.0234 0.0199
Echinococcus granulosus defective proboscis extension response 0.0024 0.0234 0.0612
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0017 0.0043 0.0043
Schistosoma mansoni coup transcription factor 0.0021 0.0145 0.0145
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0145 0.0145
Schistosoma mansoni neuropeptide F-like receptor 0.0017 0.0043 0.0043
Schistosoma mansoni myosin xvIII 0.0017 0.0043 0.0043
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0145 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0145 0.0106
Schistosoma mansoni neuropeptide F-like receptor 0.0017 0.0043 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Brugia malayi nuclear receptor NHR-88 0.0021 0.0145 0.0106
Schistosoma mansoni nephrin 0.0031 0.0392 0.0392
Echinococcus granulosus twitchin 0.0031 0.0392 0.1118
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0145 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0145 0.0106
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0145 0.0359
Loa Loa (eye worm) hypothetical protein 0.0024 0.0234 0.0199
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0129 0.2888 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0145 0.0359
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0395 0.9634 1
Brugia malayi steroid hormone receptor 0.0021 0.0145 0.0106
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0145 0.0145
Schistosoma mansoni hypothetical protein 0.0017 0.0043 0.0043
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0145 0.0106
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni neuropeptide f receptor 76f 0.0017 0.0043 0.0043
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0145 0.0114
Echinococcus multilocularis Immunoglobulin 0.0024 0.0234 0.0672
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0145 0.0106
Brugia malayi ecdysteroid receptor 0.0021 0.0145 0.0106
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0145 0.0327
Schistosoma mansoni neuropeptide receptor 0.0017 0.0043 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0145 0.0106
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0145 0.0327
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0145 0.0106
Schistosoma mansoni amine GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0145 0.0106
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0017 0.0043 0.0043
Schistosoma mansoni biogenic amine receptor 0.0017 0.0043 0.0043
Schistosoma mansoni amine GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Schistosoma mansoni biogenic amine receptor 0.0017 0.0043 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni neuropeptide receptor 0.0017 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0024 0.0234 0.0199
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0145 0.0106
Echinococcus multilocularis roundabout 2 0.0039 0.0593 0.1936
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0145 0.0145
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0145 0.0359
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0145 0.0327
Brugia malayi nuclear hormone receptor 0.0021 0.0145 0.0106
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0145 0.0327
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0145 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0145 0.0106
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0145 0.0145
Echinococcus granulosus roundabout 2 0.0039 0.0593 0.1763
Onchocerca volvulus 0.0361 0.8789 0.9795
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0145 0.0327
Onchocerca volvulus 0.0021 0.0145 0.0114
Echinococcus multilocularis neuroglian 0.0031 0.0392 0.1227
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0145 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0145 0.0106
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0145 0.0327
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0145 0.0106
Onchocerca volvulus Tyrosine kinase homolog 0.0368 0.8972 1
Schistosoma mansoni opsin-like receptor 0.0017 0.0043 0.0043
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0145 0.0359
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0043 0.0043
Schistosoma mansoni retinoic acid receptor RXR 0.014 0.3167 0.3167
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0145 0.0327
Echinococcus granulosus neuroglian 0.0031 0.0392 0.1118
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0032 0.0436 0.1257
Schistosoma mansoni hypothetical protein 0.0017 0.0043 0.0043
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0145 0.0359
Brugia malayi Fibronectin type III domain containing protein 0.0024 0.0234 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0145 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0145 0.0106
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0145 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0145 0.0106
Schistosoma mansoni histamine h1 receptor 0.0017 0.0043 0.0043
Schistosoma mansoni amine GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0017 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0017 0.0043 0.0043
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0017 0.0043 0.0043
Brugia malayi hypothetical protein 0.0024 0.0234 0.0199
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0145 0.0106
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0145 0.0106
Schistosoma mansoni neuropeptide receptor 0.0017 0.0043 0.0043
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0017 0.0043 0.0043
Brugia malayi Immunoglobulin I-set domain containing protein 0.0024 0.0234 0.0199
Echinococcus granulosus Immunoglobulin 0.0024 0.0234 0.0612
Loa Loa (eye worm) hypothetical protein 0.0024 0.0234 0.0199
Loa Loa (eye worm) hypothetical protein 0.0024 0.0234 0.0199
Loa Loa (eye worm) hypothetical protein 0.0039 0.0593 0.0574
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0017 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Loa Loa (eye worm) hypothetical protein 0.0032 0.0436 0.041
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0017 0.0043 0.0043
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0145 0.0145
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0145 0.0359
Echinococcus granulosus retinoic acid receptor rxr beta a 0.014 0.3167 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0021 0.0145 0.0106
Schistosoma mansoni alpha-1 adrenergic receptor 0.0017 0.0043 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni growth hormone secretagogue receptor 0.0017 0.0043 0.0043
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0145 0.0114
Schistosoma mansoni neuropeptide receptor 0.0017 0.0043 0.0043
Schistosoma mansoni biogenic amine (5HT) receptor 0.0017 0.0043 0.0043
Schistosoma mansoni biogenic amine (5HT) receptor 0.0017 0.0043 0.0043
Schistosoma mansoni opsin-like receptor 0.0017 0.0043 0.0043
Brugia malayi Immunoglobulin I-set domain containing protein 0.0395 0.9634 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0043 0.0043
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0145 0.0114
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0024 0.0234 0.0234
Schistosoma mansoni opsin-like receptor 0.0017 0.0043 0.0043
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0024 0.0234 0.0672
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0145 0.0359
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0017 0.0043 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0024 0.0234 0.0199
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni biogenic amine receptor 0.0017 0.0043 0.0043
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0017 0.0043 0.0043
Schistosoma mansoni amine GPCR 0.0017 0.0043 0.0043
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0017 0.0043 0.0043
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0145 0.0359
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0145 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0145 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0145 0.0106
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0145 0.0145
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0024 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0145 0.0106
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0043 0.0043
Echinococcus multilocularis Immunoglobulin 0.0024 0.0234 0.0672

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) >= 100 uM Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting ChEMBL. 23434637

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.