Detailed information for compound 1330513

Basic information

Technical information
  • TDR Targets ID: 1330513
  • Name: N-[(2-methoxyphenyl)methyl]-1-methyl-5-piperi din-1-ylsulfonylindole-2-carboxamide
  • MW: 441.543 | Formula: C23H27N3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)c1cc2c(n1C)ccc(c2)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C23H27N3O4S/c1-25-20-11-10-19(31(28,29)26-12-6-3-7-13-26)14-18(20)15-21(25)23(27)24-16-17-8-4-5-9-22(17)30-2/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,24,27)
  • InChiKey: HPPKJXRVKSGHJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-methoxyphenyl)methyl]-1-methyl-5-(1-piperidylsulfonyl)indole-2-carboxamide
  • N-[(2-methoxyphenyl)methyl]-1-methyl-5-(1-piperidylsulfonyl)-2-indolecarboxamide
  • N-(2-methoxybenzyl)-1-methyl-5-piperidinosulfonyl-indole-2-carboxamide
  • N-[(2-methoxyphenyl)methyl]-1-methyl-5-piperidin-1-ylsulfonyl-indole-2-carboxamide
  • G732-1302
  • NCGC00133367-01

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
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0052 0.022 0.0661
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0583 0.4702 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0133 0.0903 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1211 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0133 0.0903 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.034 0.034
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0052 0.022 0.022
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.034 0.034
Toxoplasma gondii LsmAD domain-containing protein 0.0133 0.0903 1
Echinococcus multilocularis expressed protein 0.0052 0.022 0.022
Onchocerca volvulus 0.0052 0.022 0.0421
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.034
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0029 0.0024 0.0024
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0024
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0029 0.0024 0.0024
Brugia malayi G-protein alpha subunit 0.0052 0.022 0.022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.1548 0.1548
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0052 0.022 0.022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1211 1 1
Onchocerca volvulus 0.0052 0.022 0.0421
Brugia malayi hypothetical protein 0.0086 0.0505 0.0505
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0029 0.0024 0.0024
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0052 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.034
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0052 0.022 0.022
Schistosoma mansoni kinase 0.005 0.0204 0.0204
Brugia malayi DIX domain containing protein 0.0029 0.0024 0.0024
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0052 0.022 0.022
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0052 0.022 0.022
Giardia lamblia Kinase, PLK 0.0098 0.0612 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0052 0.022 0.0661
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0052 0.022 0.022
Echinococcus granulosus regulator of G protein signaling 7 0.0029 0.0024 0.0024
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.0989 0.0989
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0052 0.022 0.022
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.006 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0133 0.0903 0.0903
Echinococcus multilocularis segment polarity protein dishevelled 0.0029 0.0024 0.0024
Brugia malayi hypothetical protein 0.0052 0.022 0.022
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0029 0.0024 0.0024
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.022 0.022
Echinococcus multilocularis segment polarity protein dishevelled 0.0029 0.0024 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1211 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.0612 0.0612
Schistosoma mansoni tar DNA-binding protein 0.0337 0.2624 0.2624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1211 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.0612 0.0612
Schistosoma mansoni hypothetical protein 0.006 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0052 0.022 0.022
Echinococcus granulosus tar DNA binding protein 0.0337 0.2624 0.2624
Echinococcus granulosus expressed protein 0.0052 0.022 0.022
Loa Loa (eye worm) TAR-binding protein 0.0337 0.2624 0.2624
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0052 0.022 0.022
Brugia malayi hypothetical protein 0.0029 0.0024 0.0024
Plasmodium falciparum ataxin-2 like protein, putative 0.0133 0.0903 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0029 0.0024 0.0024
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.034 0.034
Brugia malayi hypothetical protein 0.0133 0.0903 0.0903
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0052 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0024
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Brugia malayi RNA binding protein 0.0337 0.2624 0.2624
Schistosoma mansoni tar DNA-binding protein 0.0337 0.2624 0.2624
Echinococcus granulosus Pleckstrin G protein interacting region 0.0029 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0583 0.4702 0.4702
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.034 0.034
Leishmania major hypothetical protein, conserved 0.0133 0.0903 1
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.0612 0.0612
Loa Loa (eye worm) DIX domain-containing protein 0.0029 0.0024 0.0024
Loa Loa (eye worm) transcription factor SMAD2 0.038 0.2989 0.2989
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0052 0.022 0.022
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0052 0.022 0.022
Brugia malayi RNA recognition motif domain containing protein 0.0337 0.2624 0.2624
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0052 0.022 0.022
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0052 0.022 0.022
Onchocerca volvulus 0.0164 0.1165 0.244
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0052 0.022 0.022
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0337 0.2624 0.2624
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0052 0.022 0.022
Echinococcus granulosus GPCR family 2 0.0066 0.034 0.034
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0052 0.022 0.0661
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.0612 0.0612
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.034 0.034
Brugia malayi Latrophilin receptor protein 2 0.0066 0.034 0.034
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0052 0.022 0.022
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0052 0.022 0.022
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0052 0.022 0.0661
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0052 0.022 0.022
Brugia malayi regulator of G-protein signaling egl-10 0.0029 0.0024 0.0024
Schistosoma mansoni GTP-binding protein alpha subunit 0.0052 0.022 0.022
Schistosoma mansoni tar DNA-binding protein 0.0337 0.2624 0.2624
Schistosoma mansoni regulator of G protein signaling 0.0029 0.0024 0.0024
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0052 0.022 0.022
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.1548 0.1548
Trypanosoma cruzi PAB1-binding protein , putative 0.0133 0.0903 1
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0052 0.022 0.022
Schistosoma mansoni GTP-binding protein alpha subunit 0.0052 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0143 0.0989 0.0989
Brugia malayi TAR-binding protein 0.0337 0.2624 0.2624
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1211 1 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0052 0.022 0.022
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0052 0.022 0.022
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0052 0.022 0.022
Echinococcus multilocularis regulator of G protein signaling 7 0.0029 0.0024 0.0024
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0052 0.022 0.022
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0052 0.022 0.022
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0052 0.022 0.022
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1211 1 1
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.034
Onchocerca volvulus 0.0052 0.022 0.0421
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0029 0.0024 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.038 0.2989 0.2989
Echinococcus granulosus segment polarity protein dishevelled 0.0029 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0209 0.1548 0.1548
Brugia malayi N-terminal motif family protein 0.0583 0.4702 0.4702
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0052 0.022 0.022
Schistosoma mansoni dishevelled 0.0029 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0066 0.034 0.034
Schistosoma mansoni tar DNA-binding protein 0.0337 0.2624 0.2624
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0024
Schistosoma mansoni tar DNA-binding protein 0.0337 0.2624 0.2624
Brugia malayi hypothetical protein 0.0164 0.1165 0.1165
Schistosoma mansoni dishevelled 0.0029 0.0024 0.0024
Echinococcus granulosus regulator of G protein signaling 7 0.0029 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0052 0.022 0.022
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0052 0.022 0.022
Loa Loa (eye worm) G protein alpha subunit 3 0.0052 0.022 0.022
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0052 0.022 0.0661
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0052 0.022 0.022
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0052 0.022 0.022
Brugia malayi hypothetical protein 0.0029 0.0024 0.0024
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.1548 0.1548
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.0612 0.1258
Loa Loa (eye worm) hypothetical protein 0.0052 0.022 0.022
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0052 0.022 0.022
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0612 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0052 0.022 0.0661
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.006 0.0284 0.0284
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0052 0.022 0.022
Loa Loa (eye worm) RNA binding protein 0.0337 0.2624 0.2624
Loa Loa (eye worm) hypothetical protein 0.0143 0.0989 0.0989
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1211 1 1
Brugia malayi MH2 domain containing protein 0.038 0.2989 0.2989
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0052 0.022 0.0661
Loa Loa (eye worm) hypothetical protein 0.0164 0.1165 0.1165
Schistosoma mansoni z-protein (S1r protein) 0.0029 0.0024 0.0024
Plasmodium falciparum ataxin-2 like protein, putative 0.0133 0.0903 0.5
Echinococcus multilocularis GPCR, family 2 0.0066 0.034 0.034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1211 1 1
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0052 0.022 0.0661
Schistosoma mansoni dep domain containing protein 0.0029 0.0024 0.0024
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.034 0.034
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0052 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0052 0.022 0.022
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.0612 0.0612
Echinococcus multilocularis tar DNA binding protein 0.0337 0.2624 0.2624
Echinococcus multilocularis regulator of G protein signaling 7 0.0029 0.0024 0.0024
Trypanosoma brucei PAB1-binding protein , putative 0.0133 0.0903 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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