Detailed information for compound 458339

Basic information

Technical information
  • TDR Targets ID: 458339
  • Name: N-[5-(1-phenethylindol-2-yl)-2,3-dihydro-1H-i nden-2-yl]benzenesulfonamide
  • MW: 492.631 | Formula: C31H28N2O2S
  • H donors: 1 H acceptors: 2 LogP: 6.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccccc1)NC1Cc2c(C1)ccc(c2)c1cc2c(n1CCc1ccccc1)cccc2
  • InChi: 1S/C31H28N2O2S/c34-36(35,29-12-5-2-6-13-29)32-28-20-24-15-16-26(19-27(24)21-28)31-22-25-11-7-8-14-30(25)33(31)18-17-23-9-3-1-4-10-23/h1-16,19,22,28,32H,17-18,20-21H2
  • InChiKey: HFJFDLQVZPHGMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(1-phenethylindol-2-yl)indan-2-yl]benzenesulfonamide
  • N-[5-(1-phenethyl-2-indolyl)-2-indanyl]benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL 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
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0116 0.5
Brugia malayi Protein kinase c protein 2 0.0046 0.0286 0.0286
Echinococcus granulosus protein kinase c iota type 0.0014 0.0037 0.1041
Echinococcus granulosus protein kinase C gamma type 0.0048 0.0304 0.8669
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0502 0.3883 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0502 0.3883 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0044 0.0044
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0116 0.5
Echinococcus granulosus RNA directed DNA polymerase 0.0039 0.0228 0.651
Brugia malayi hypothetical protein 0.0024 0.0116 0.0116
Schistosoma mansoni hypothetical protein 0.0011 0.001 0.0281
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0039 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.0024 0.0116 0.0116
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0116 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.0054 0.0351 1
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.1251
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0044 0.1251
Echinococcus multilocularis protein kinase c iota type 0.0014 0.0037 0.1041
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0016 0.0046 0.0046
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0044 0.1251
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.004 0.024 0.024
Echinococcus multilocularis RNA directed DNA polymerase 0.0039 0.0228 0.651
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1278 1 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0044 0.0044
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0044 0.1251
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0046 0.1317
Brugia malayi protein kinase C II. 0.0016 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0048 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0015 0.0044 0.0044
Echinococcus multilocularis GPCR, family 2 0.0015 0.0044 0.1251
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0351 1
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.1251
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.1251
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0303 0.0303
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.1251
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0116 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0351 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0044 0.0044
Schistosoma mansoni atypical protein kinase C 0.0014 0.0037 0.1041
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.001 0.0281
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0502 0.3883 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0183 0.0183
Leishmania major malonyl-coa decarboxylase-like protein 0.0502 0.3883 1
Brugia malayi hypothetical protein 0.0016 0.0048 0.0048
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0054 0.0351 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0039 0.0228 0.651
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0044 0.1251
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0016 0.0046 0.1317
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0303 0.0303
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.001 0.0281
Echinococcus granulosus GPCR family 2 0.0015 0.0044 0.1251
Echinococcus multilocularis serine threonine protein kinase 0.0048 0.0304 0.8669
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1278 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0275 0.0275
Echinococcus multilocularis protein kinase c epsilon type 0.0016 0.0046 0.1317
Loa Loa (eye worm) hypothetical protein 0.0033 0.0183 0.0183
Onchocerca volvulus 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0183 0.5224

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 10 uM Agonist activity at LXRbeta LBD by HTRF cofactor peptide recruitment assay ChEMBL. 17416521
EC50 (functional) > 10 uM Agonist activity at LXRbeta LBD by HTRF cofactor peptide recruitment assay ChEMBL. 17416521

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.

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