Detailed information for compound 1280837

Basic information

Technical information
  • TDR Targets ID: 1280837
  • Name: N-[(4-methoxyphenyl)methyl]-1-(1-methylindol- 5-yl)sulfonylpiperidine-4-carboxamide
  • MW: 441.543 | Formula: C23H27N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.39 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)ccn2C
  • InChi: 1S/C23H27N3O4S/c1-25-12-9-19-15-21(7-8-22(19)25)31(28,29)26-13-10-18(11-14-26)23(27)24-16-17-3-5-20(30-2)6-4-17/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,24,27)
  • InChiKey: MVEKDEBAFXEVKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-methoxyphenyl)methyl]-1-(1-methylindol-5-yl)sulfonyl-piperidine-4-carboxamide
  • N-[(4-methoxyphenyl)methyl]-1-[(1-methyl-5-indolyl)sulfonyl]-4-piperidinecarboxamide
  • N-(4-methoxybenzyl)-1-(1-methylindol-5-yl)sulfonyl-isonipecotamide
  • C700-1860
  • NCGC00111884-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No 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
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0604 0.0863
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0035 0.1507 0.1507
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0035 0.1507 0.1507
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0035 0.1507 0.318
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Loa Loa (eye worm) ACC-1 protein 0.0035 0.1507 0.1507
Onchocerca volvulus 0.0035 0.1507 0.1398
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0604 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2289 0.3272
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0035 0.1507 0.1507
Brugia malayi Cation transporter family protein 0.0035 0.1507 0.1507
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0035 0.1507 0.1507
Onchocerca volvulus Putative nachr subunit 0.0035 0.1507 0.1398
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0035 0.1507 0.318
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0604 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4739 0.4739
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3472 0.3472
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1991 0.1991
Trypanosoma brucei unspecified product 0.0016 0.0041 0.0687
Entamoeba histolytica hypothetical protein 0.0023 0.0615 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0273 0.0273
Echinococcus granulosus glycine receptor subunit beta 0.0035 0.1507 0.318
Brugia malayi Cation transporter family protein 0.0106 0.6996 0.6996
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0035 0.1507 0.1507
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3472 0.3472
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0035 0.1507 0.318
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0035 0.1507 0.2154
Onchocerca volvulus 0.0035 0.1507 0.1398
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2289 0.4831
Giardia lamblia DINP protein human, muc B family 0.0023 0.0604 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0273 0.0576
Loa Loa (eye worm) GABA receptor subunit 0.0023 0.0615 0.0615
Leishmania major DNA polymerase eta, putative 0.0023 0.0604 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0035 0.1507 0.318
Schistosoma mansoni hypothetical protein 0.0041 0.1991 0.2846
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0035 0.1507 0.318
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0035 0.1507 0.1507
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0273 0.0576
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0035 0.1507 0.318
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0035 0.1507 0.1507
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0604 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2289 0.3272
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0035 0.1507 0.1507
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0604 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4739 0.4739
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.6996 0.6996
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0604 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Echinococcus multilocularis GPCR, family 2 0.0019 0.0273 0.0576
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0035 0.1507 0.318
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0604 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0035 0.1507 0.1507
Echinococcus granulosus nAChR subunit 0.0023 0.0615 0.1298
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0615 0.0879
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2289 0.4831
Schistosoma mansoni hypothetical protein 0.0019 0.0273 0.039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2289 0.4831
Schistosoma mansoni DNA polymerase eta 0.0023 0.0604 0.0863
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus granulosus glycine receptor subunit alpha 1 0.0035 0.1507 0.318
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4739 0.4739
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0273 0.0576
Schistosoma mansoni hypothetical protein 0.0019 0.0273 0.039
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0035 0.1507 0.1507
Echinococcus multilocularis glycine receptor subunit beta 0.0035 0.1507 0.318
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0035 0.1507 0.1507
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0035 0.1507 0.318
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0604 0.1274
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0035 0.1507 0.1507
Loa Loa (eye worm) LGC-31 protein 0.0035 0.1507 0.1507
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0035 0.1507 0.318
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3472 0.3472
Onchocerca volvulus 0.0106 0.6996 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2289 0.3272
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4739 0.6774
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0604 0.0604
Brugia malayi excitatory GABA receptor EXP-1A 0.0035 0.1507 0.1507
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0604 1
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0035 0.1507 0.318
Loa Loa (eye worm) hypothetical protein 0.0019 0.0273 0.0273
Onchocerca volvulus 0.0035 0.1507 0.1398
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0035 0.1507 0.318
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.0604 0.1274
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0604 0.0604
Leishmania major DNA polymerase kappa, putative 0.0023 0.0604 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2289 0.2289
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0106 0.6996 1
Echinococcus granulosus glycine receptor subunit beta 0.0035 0.1507 0.318
Echinococcus granulosus dna polymerase kappa 0.0023 0.0604 0.1274
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0041 0.0687
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0041 0.0687
Echinococcus granulosus GPCR family 2 0.0019 0.0273 0.0576
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0035 0.1507 0.318
Echinococcus granulosus glycine receptor subunit alpha 1 0.0035 0.1507 0.318
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0035 0.1507 0.318
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0604 0.1274
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0604 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4739 0.6774
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0604 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0604 0.1274
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.0106 0.6996 0.6996
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0035 0.1507 0.1507
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0035 0.1507 0.2154
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0035 0.1507 0.1507
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0041 0.0687
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0035 0.1507 0.318
Trypanosoma brucei unspecified product 0.0023 0.0604 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2289 0.2289
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0023 0.0615 0.0879
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Onchocerca volvulus 0.0106 0.6996 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0604 0.0863
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0023 0.0615 0.0615
Schistosoma mansoni hypothetical protein 0.0019 0.0273 0.039
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0604 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4739 0.6774
Trypanosoma brucei unspecified product 0.0016 0.0041 0.0687
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0604 1
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4739 0.6774
Brugia malayi TAR-binding protein 0.0076 0.4739 0.4739
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Echinococcus multilocularis glycine receptor subunit beta 0.0035 0.1507 0.318
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0035 0.1507 0.2154
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Brugia malayi Cation transporter family protein 0.0035 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0035 0.1507 0.318
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0035 0.1507 0.1507
Echinococcus granulosus nAChR subunit 0.0035 0.1507 0.318
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4739 0.6774
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0615 0.0615
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0035 0.1507 0.2154
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0035 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0094 0.6104 0.6104
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4739 1
Schistosoma mansoni nAChR subunit 0.0035 0.1507 0.2154
Echinococcus granulosus tar DNA binding protein 0.0076 0.4739 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0273 0.0576
Onchocerca volvulus 0.0106 0.6996 1
Loa Loa (eye worm) hypothetical protein 0.006 0.3472 0.3472
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0604 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0035 0.1507 0.318
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0035 0.1507 0.318
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0035 0.1507 0.1507
Echinococcus granulosus glycine receptor subunit alpha 1 0.0035 0.1507 0.318
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0604 1
Loa Loa (eye worm) ACC-1 protein 0.0035 0.1507 0.1507
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0035 0.1507 0.1507
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0615 0.0615
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2289 0.4831
Echinococcus multilocularis nAChR subunit 0.0035 0.1507 0.318
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0273 0.0273
Brugia malayi RNA binding protein 0.0076 0.4739 0.4739
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Schistosoma mansoni hypothetical protein 0.0019 0.0273 0.039
Loa Loa (eye worm) hypothetical protein 0.0023 0.0604 0.0604
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0604 0.1274
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0035 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0023 0.0615 0.0615
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0604 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0035 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0035 0.1507 0.1507
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0035 0.1507 0.1507
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0035 0.1507 0.1507
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0106 0.6996 1
Echinococcus multilocularis nAChR subunit 0.0023 0.0615 0.1298
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0035 0.1507 0.318
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0604 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0604 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4739 0.4739
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0604 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0023 0.0615 0.0879
Loa Loa (eye worm) hypothetical protein 0.0041 0.1991 0.1991

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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