Detailed information for compound 1423487

Basic information

Technical information
  • TDR Targets ID: 1423487
  • Name: N-[4-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] sulfamoyl]phenyl]acetamide
  • MW: 387.453 | Formula: C19H21N3O4S
  • H donors: 2 H acceptors: 4 LogP: 1.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCc2c1cccc2
  • InChi: 1S/C19H21N3O4S/c1-14(23)21-16-6-8-17(9-7-16)27(25,26)20-12-10-19(24)22-13-11-15-4-2-3-5-18(15)22/h2-9,20H,10-13H2,1H3,(H,21,23)
  • InChiKey: WNMDZYVDLWEPGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[(3-indolin-1-yl-3-oxo-propyl)sulfamoyl]phenyl]acetamide
  • N-[4-[[3-(1-indolinyl)-3-oxopropyl]sulfamoyl]phenyl]acetamide
  • N-[4-[(3-indolin-1-yl-3-keto-propyl)sulfamoyl]phenyl]acetamide
  • N-[4-[[3-(2,3-dihydroindol-1-yl)-3-oxo-propyl]sulfamoyl]phenyl]ethanamide
  • T5564723
  • ZINC08395740

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.4023 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0346 0.0632 0.0545
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0346 0.0632 0.0545
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0273 0.0445 0.0356
Echinococcus multilocularis FTZ F1 alpha 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0241 0.0363 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0163 0.0166 0.0074
Loa Loa (eye worm) hypothetical protein 0.0183 0.0216 0.0124
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.0242 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0193 0.0242 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0241 0.0363 0.5
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0183 0.0216 0.0227
Loa Loa (eye worm) hypothetical protein 0.0183 0.0216 0.0124
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0193 0.0242 0.0151
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0163 0.0166 0.0074
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0093 0.0097
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0163 0.0166 0.0074
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0158 0.0152 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0183 0.0216 0.0124
Echinococcus multilocularis nuclear receptor nhr 48 0.0163 0.0166 0.0074
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0346 0.0632 0.0545
Schistosoma mansoni peptidase Clp (S14 family) 0.0241 0.0363 0.0381
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0163 0.0166 0.0174
Loa Loa (eye worm) hypothetical protein 0.0241 0.0363 0.0273
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0346 0.0632 0.0545
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0241 0.0363 0.0273
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0241 0.0363 0.0273
Echinococcus multilocularis peptidase Clp (S14 family) 0.0158 0.0152 0.0059
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0183 0.0216 0.0227
Brugia malayi tailless protein 0.0163 0.0166 0.0074
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0093 0.0097
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0163 0.0166 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0346 0.0632 0.0545
Brugia malayi Calcitonin receptor-like protein seb-1 0.0273 0.0445 0.0356
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0346 0.0632 0.0545
Echinococcus granulosus Nuclear hormone receptor HR96 0.0163 0.0166 0.0074
Echinococcus multilocularis thyroid hormone receptor alpha 0.0346 0.0632 0.0545
Brugia malayi serine/threonine-protein kinase plk-2 0.0193 0.0242 0.0151
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0163 0.0166 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0346 0.0632 0.0663
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0193 0.0242 0.0151
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0163 0.0166 0.0074
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0346 0.0632 0.0545
Schistosoma mansoni nuclear receptor nhr-48 0.0163 0.0166 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0183 0.0216 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0193 0.0242 0.5
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Brugia malayi Probable ClpP-like protease 0.0241 0.0363 0.0273
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0346 0.0632 0.0545
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0183 0.0216 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0346 0.0632 0.0545
Brugia malayi nuclear receptor NHR-67 0.0163 0.0166 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0187 0.0225 0.0133
Brugia malayi ecdysteroid receptor 0.0346 0.0632 0.0545
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Schistosoma mansoni coup transcription factor 0.0346 0.0632 0.0663
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0346 0.0632 0.0545
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Schistosoma mansoni nuclear hormone receptor 0.0163 0.0166 0.0174
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Loa Loa (eye worm) nuclear receptor NHR-67 0.0163 0.0166 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0346 0.0632 0.0545
Brugia malayi Nuclear hormone receptor E75 0.0163 0.0166 0.0074
Echinococcus multilocularis ecdysone induced protein 78C 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0187 0.0225 0.0133
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0346 0.0632 0.0545
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0163 0.0166 0.0074
Schistosoma mansoni nuclear receptor 0.0163 0.0166 0.0174
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0346 0.0632 0.0545
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0346 0.0632 0.0545
Schistosoma mansoni nuclear hormone receptor 0.0346 0.0632 0.0663
Brugia malayi Nuclear hormone receptor E75 0.0163 0.0166 0.0074
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Brugia malayi hypothetical protein 0.0163 0.0166 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Brugia malayi hypothetical protein 0.0183 0.0216 0.0124
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Echinococcus granulosus peptidase Clp S14 family 0.0158 0.0152 0.0059
Onchocerca volvulus Serine\/threonine kinase homolog 0.0193 0.0242 0.1631
Brugia malayi nuclear hormone receptor 0.0346 0.0632 0.0545
Loa Loa (eye worm) steroid hormone receptor 0.0346 0.0632 0.0545
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0346 0.0632 0.0663
Onchocerca volvulus 0.0346 0.0632 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.384 0.9534 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0346 0.0632 0.0545
Brugia malayi Nuclear hormone receptor-like 1 0.0346 0.0632 0.0545
Brugia malayi nuclear hormone receptor family member nhr-6 0.0163 0.0166 0.0074
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0183 0.0216 0.0124
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0163 0.0166 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0346 0.0632 0.0545
Trypanosoma brucei polo-like protein kinase 0.0193 0.0242 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Echinococcus granulosus ecdysone induced protein 78C 0.0346 0.0632 0.0545
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0193 0.0242 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0346 0.0632 0.0545
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0158 0.0152 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0093 0.0097
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0346 0.0632 0.0663
Brugia malayi nuclear hormone receptor 0.0163 0.0166 0.0074
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0093 0.0097
Brugia malayi nuclear receptor NHR-88 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Onchocerca volvulus Bile acid receptor homolog 0.0346 0.0632 1
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0346 0.0632 0.0545
Schistosoma mansoni zinc finger protein 0.0163 0.0166 0.0174
Echinococcus granulosus thyroid hormone receptor alpha 0.0163 0.0166 0.0074
Brugia malayi nuclear receptor RXR 0.0183 0.0216 0.0124
Brugia malayi Steroid receptor seven-up type 2 0.0346 0.0632 0.0545
Brugia malayi hypothetical protein 0.0183 0.0216 0.0124
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0183 0.0216 0.0124
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0346 0.0632 0.0545
Schistosoma mansoni RAR-like nuclear receptor 0.0346 0.0632 0.0663
Schistosoma mansoni thyroid hormone receptor 0.0346 0.0632 0.0663
Echinococcus granulosus Nuclear hormone receptor HR96 0.0163 0.0166 0.0074
Schistosoma mansoni retinoic acid receptor RXR 0.0346 0.0632 0.0663
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.4023 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0163 0.0166 0.0074
Loa Loa (eye worm) hypothetical protein 0.0183 0.0216 0.0124
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0183 0.0216 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Loa Loa (eye worm) hypothetical protein 0.0346 0.0632 0.0545
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0346 0.0632 0.0545
Schistosoma mansoni steroid hormone receptor ad4bp 0.0346 0.0632 0.0663
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0346 0.0632 0.0545
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0241 0.0363 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.0242 0.5
Loa Loa (eye worm) hypothetical protein 0.0273 0.0445 0.0356
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0241 0.0363 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0346 0.0632 0.0663
Loa Loa (eye worm) DR-78 0.0163 0.0166 0.0074
Giardia lamblia Kinase, PLK 0.0193 0.0242 0.5
Schistosoma mansoni nuclear receptor 0.0163 0.0166 0.0174
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0346 0.0632 0.0663
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0346 0.0632 0.0663
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Brugia malayi ecdysone receptor 0.0163 0.0166 0.0074
Brugia malayi steroid hormone receptor 0.0346 0.0632 0.0545
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0273 0.0445 0.0356
Echinococcus granulosus FTZ F1 alpha 0.0346 0.0632 0.0545
Brugia malayi nuclear receptor NHR-88 0.0163 0.0166 0.0074
Schistosoma mansoni nuclear hormone receptor 0.0163 0.0166 0.0174
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0346 0.0632 0.0663
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0346 0.0632 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Brugia malayi photoreceptor-specific nuclear receptor 0.0346 0.0632 0.0545
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0346 0.0632 0.0545
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.0242 0.0254
Loa Loa (eye worm) nuclear hormone receptor 0.0163 0.0166 0.0074
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.4023 1 1
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0093 0.0097
Brugia malayi hypothetical protein 0.0163 0.0166 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.0183 0.0216 0.0124
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0241 0.0363 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0346 0.0632 0.0545
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0163 0.0166 0.0074
Brugia malayi nuclear receptor RXR 0.0163 0.0166 0.0074
Brugia malayi orphan nuclear receptor NR2E1 0.0163 0.0166 0.0074
Onchocerca volvulus Protein ultraspiracle homolog 0.0346 0.0632 1
Schistosoma mansoni hypothetical protein 0.0187 0.0225 0.0236
Brugia malayi conserved hypotetical protein 0.0163 0.0166 0.0074
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0346 0.0632 0.0545
Loa Loa (eye worm) hypothetical protein 0.0163 0.0166 0.0074
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0346 0.0632 0.0545
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0346 0.0632 0.0545
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.0242 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0346 0.0632 0.0545
Brugia malayi nuclear hormone receptor family member odr-7 0.0163 0.0166 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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