Detailed information for compound 1435414

Basic information

Technical information
  • TDR Targets ID: 1435414
  • Name: 1-methyl-N-(2-phenylpropyl)-5-piperidin-1-yls ulfonylindole-2-carboxamide
  • MW: 439.57 | Formula: C24H29N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(n1C)ccc(c2)S(=O)(=O)N1CCCCC1)NCC(c1ccccc1)C
  • InChi: 1S/C24H29N3O3S/c1-18(19-9-5-3-6-10-19)17-25-24(28)23-16-20-15-21(11-12-22(20)26(23)2)31(29,30)27-13-7-4-8-14-27/h3,5-6,9-12,15-16,18H,4,7-8,13-14,17H2,1-2H3,(H,25,28)
  • InChiKey: QHAPPVHCACNMKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-methyl-N-(2-phenylpropyl)-5-(1-piperidylsulfonyl)indole-2-carboxamide
  • 1-methyl-N-(2-phenylpropyl)-5-(1-piperidylsulfonyl)-2-indolecarboxamide
  • 1-methyl-N-(2-phenylpropyl)-5-piperidinosulfonyl-indole-2-carboxamide
  • 1-methyl-N-(2-phenylpropyl)-5-piperidin-1-ylsulfonyl-indole-2-carboxamide
  • G732-1310
  • NCGC00133387-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0155 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0374 0.0829 0.0829
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0374 0.0829 0.0829
Loa Loa (eye worm) hypothetical protein 0.0049 0.0078 0.0078
Schistosoma mansoni sterol O-acyltransferase 1 0.0374 0.0829 0.0829
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0000059102 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0374 0.0829 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0374 0.0829 0.5
Echinococcus granulosus jumonji domain containing protein 0.004 0.0057 0.0057
Loa Loa (eye worm) MBOAT family protein 0.0374 0.0829 0.0829
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0374 0.0829 0.0829
Schistosoma mansoni hypothetical protein 0.0029 0.0031 0.0031
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0031 0.0369
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0042 0.0042
Schistosoma mansoni zinc finger protein 0.4338 1 1
Entamoeba histolytica hypothetical protein 0.0374 0.0829 0.5
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.4338 1 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0374 0.0829 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0374 0.0829 0.0829
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0000059102 0.0000059102
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0031 0.0031
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0045 0.0045
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0374 0.0829 0.0829
Trypanosoma cruzi GUP1, putative 0.0374 0.0829 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0045 0.0546
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0374 0.0829 0.0829
Echinococcus granulosus zinc finger protein 0.3964 0.9135 0.9135
Trypanosoma brucei glycerol uptake protein, putative 0.0374 0.0829 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0138 0.0138
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0078 0.0078
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0374 0.0829 0.0829
Echinococcus granulosus o acyltransferase membrane bound domain 0.0374 0.0829 0.0829
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.4338 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0374 0.0829 0.5
Leishmania major hypothetical protein, conserved 0.0374 0.0829 1
Brugia malayi jmjC domain containing protein 0.0095 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0374 0.0829 0.0829
Loa Loa (eye worm) hypothetical protein 0.0374 0.0829 0.0829
Schistosoma mansoni hypothetical protein 0.0034 0.0042 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0297 0.0297
Loa Loa (eye worm) hypothetical protein 0.0034 0.0042 0.0042
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0045 0.0045
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0374 0.0829 1
Trichomonas vaginalis porcupine, putative 0.0374 0.0829 0.5
Brugia malayi PHD-finger family protein 0.0029 0.0031 0.0031
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0374 0.0829 0.0829
Trypanosoma cruzi glycerol uptake protein, putative 0.0374 0.0829 1
Echinococcus multilocularis peregrin 0.0029 0.0031 0.0031
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0374 0.0829 0.0829
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0045 0.0546
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0031 0.0369
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Brugia malayi Bromodomain containing protein 0.0029 0.0031 0.0031
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Echinococcus multilocularis zinc finger protein 0.3964 0.9135 0.9135
Trypanosoma cruzi GUP1, putative 0.0374 0.0829 1
Brugia malayi diacylglycerol acyltransferase 0.0374 0.0829 0.0829
Leishmania major glycerol uptake protein, putative 0.0374 0.0829 1
Echinococcus granulosus peregrin 0.0029 0.0031 0.0031
Toxoplasma gondii hypothetical protein 0.0374 0.0829 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0374 0.0829 0.0829
Brugia malayi MBOAT family protein 0.0374 0.0829 0.0829
Loa Loa (eye worm) hhat protein 0.0374 0.0829 0.0829
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0374 0.0829 0.0829
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0374 0.0829 0.0829
Leishmania major glycerol uptake protein, putative 0.0374 0.0829 1
Brugia malayi MBOAT family protein 0.0374 0.0829 0.0829
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0374 0.0829 0.0829
Trichomonas vaginalis transmembrane protein nessy, putative 0.0374 0.0829 0.5
Brugia malayi isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0374 0.0829 0.0829
Schistosoma mansoni hypothetical protein 0.0374 0.0829 0.0829
Leishmania major glycerol uptake protein, putative 0.0374 0.0829 1
Loa Loa (eye worm) MBOAT family protein 0.4338 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Brugia malayi MBOAT family protein 0.0374 0.0829 0.0829
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0374 0.0829 0.0829
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0045 0.0045
Brugia malayi hypothetical protein 0.0155 0.0323 0.0323
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0078 0.0078
Onchocerca volvulus 0.0374 0.0829 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0045 0.0546
Echinococcus granulosus sterol O acyltransferase 1 0.0374 0.0829 0.0829
Entamoeba histolytica vacuolar protein sorting 26 0.0374 0.0829 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0045 0.0546
Loa Loa (eye worm) hhat protein 0.0374 0.0829 0.0829
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0374 0.0829 1
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0374 0.0829 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0297 0.0297
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0374 0.0829 0.0829
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0045 0.0045
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Trypanosoma brucei glycerol uptake protein, putative 0.0374 0.0829 1
Brugia malayi MBOAT family protein 0.0374 0.0829 0.0829
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0045 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0374 0.0829 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0374 0.0829 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Loa Loa (eye worm) hypothetical protein 0.0374 0.0829 0.0829
Brugia malayi Augmenter of liver regeneration 0.0035 0.0045 0.0045
Echinococcus multilocularis sterol O acyltransferase 1 0.0374 0.0829 0.0829
Loa Loa (eye worm) hypothetical protein 0.0049 0.0078 0.0078
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0045 0.0546
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Leishmania major glycerol uptake protein, putative 0.0374 0.0829 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0374 0.0829 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0031 0.0031
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0045 0.0546
Brugia malayi Hhat protein 0.0374 0.0829 0.0829
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0374 0.0829 0.0829
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0374 0.0829 0.0829
Treponema pallidum alginate O-acetylation protein (algI) 0.0374 0.0829 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0045 0.0546
Giardia lamblia PHD finger protein 15 0.0029 0.0031 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0045 0.0045
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0374 0.0829 0.0829
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0045 0.0546
Leishmania major glycerol uptake protein, putative 0.0374 0.0829 1
Brugia malayi MH2 domain containing protein 0.0144 0.0297 0.0297
Echinococcus granulosus o acyltransferase membrane bound domain 0.0374 0.0829 0.0829
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0078 0.0078
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0102 0.0102
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0045 0.0546
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0183 0.0183
Loa Loa (eye worm) MBOAT family protein 0.0374 0.0829 0.0829
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0057 0.0057
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0374 0.0829 0.5
Plasmodium falciparum phd finger protein, putative 0.0029 0.0031 0.0369
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0029 0.0031 0.0031
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0374 0.0829 0.0829
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0031 0.0369
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0045 0.0045
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0374 0.0829 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0183 0.0183
Onchocerca volvulus 0.0155 0.0323 0.3659
Entamoeba histolytica hypothetical protein, conserved 0.0374 0.0829 0.5
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0374 0.0829 0.0829
Brugia malayi jmjC domain containing protein 0.0035 0.0045 0.0045
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0000059102 0.0000059102
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0031 0.0031

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.

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