Detailed information for compound 1540457

Basic information

Technical information
  • TDR Targets ID: 1540457
  • Name: N-(3-bromophenyl)-2-[(2-ethylamino-5-morpholi n-4-ylsulfonylphenyl)amino]acetamide
  • MW: 497.406 | Formula: C20H25BrN4O4S
  • H donors: 3 H acceptors: 3 LogP: 2.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1ccc(cc1NCC(=O)Nc1cccc(c1)Br)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C20H25BrN4O4S/c1-2-22-18-7-6-17(30(27,28)25-8-10-29-11-9-25)13-19(18)23-14-20(26)24-16-5-3-4-15(21)12-16/h3-7,12-13,22-23H,2,8-11,14H2,1H3,(H,24,26)
  • InChiKey: CUHCKXHXUCNCCU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-bromophenyl)-2-[(2-ethylamino-5-morpholinosulfonyl-phenyl)amino]acetamide
  • N-(3-bromophenyl)-2-[(2-ethylamino-5-morpholinosulfonylphenyl)amino]acetamide
  • N-(3-bromophenyl)-2-[(2-ethylamino-5-morpholin-4-ylsulfonyl-phenyl)amino]ethanamide
  • T5334034

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) transcription factor SMAD2 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) MH2 domain-containing protein 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
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.0782 0.1011
Brugia malayi hypothetical protein 0.0036 0.0157 0.0157
Brugia malayi regulator of G-protein signaling egl-10 0.0036 0.0157 0.0157
Trichomonas vaginalis ras GTP exchange factor, putative 0.0026 0.0011 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0542 0.0542
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0542 0.0701
Loa Loa (eye worm) hypothetical protein 0.0199 0.2474 0.2474
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0036 0.0157 0.0204
Loa Loa (eye worm) hypothetical protein 0.0036 0.0157 0.0157
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0542 0.0701
Loa Loa (eye worm) RasGEF domain-containing protein 0.0026 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.008 0.0782 0.1011
Echinococcus granulosus Protein son of sevenless 0.0026 0.0011 0.0014
Echinococcus multilocularis Protein son of sevenless 0.0026 0.0011 0.0014
Loa Loa (eye worm) RasGEF domain-containing protein 0.0026 0.0011 0.0011
Echinococcus granulosus ras GTP exchange factor 0.0026 0.0011 0.0014
Brugia malayi RNA recognition motif domain containing protein 0.0386 0.5144 0.5144
Brugia malayi isocitrate dehydrogenase 0.0031 0.0087 0.0087
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.2474 0.2474
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0373 0.4949 1
Loa Loa (eye worm) RasGEF domain-containing protein 0.0026 0.0011 0.0011
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0568 0.7736 1
Brugia malayi Probable ClpP-like protease 0.0568 0.7736 0.7736
Echinococcus multilocularis peptidase Clp (S14 family) 0.0373 0.4949 0.6398
Echinococcus multilocularis regulator of G protein signaling 7 0.0036 0.0157 0.0204
Trichomonas vaginalis ras GTP exchange factor, putative 0.0026 0.0011 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0373 0.4949 0.6398
Schistosoma mansoni dep domain containing protein 0.0036 0.0157 0.0204
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0087 0.5
Schistosoma mansoni dishevelled 0.0036 0.0157 0.0204
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 1
Entamoeba histolytica hypothetical protein 0.008 0.0782 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.158 0.158
Echinococcus multilocularis ras GTP exchange factor 0.0026 0.0011 0.0014
Loa Loa (eye worm) DIX domain-containing protein 0.0036 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.0063 0.0542 0.0701
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0568 0.7736 1
Schistosoma mansoni tar DNA-binding protein 0.0386 0.5144 0.665
Echinococcus granulosus tar DNA binding protein 0.0386 0.5144 0.665
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 0.5
Loa Loa (eye worm) TAR-binding protein 0.0386 0.5144 0.5144
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0542 0.0542
Echinococcus granulosus Pleckstrin G protein interacting region 0.0036 0.0157 0.0204
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0087 0.0112
Loa Loa (eye worm) hypothetical protein 0.0727 1 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0026 0.0011 0.0014
Loa Loa (eye worm) transcription factor SMAD2 0.0363 0.4815 0.4815
Schistosoma mansoni tar DNA-binding protein 0.0386 0.5144 0.665
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0087 0.0087
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0026 0.0011 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0087 0.0112
Loa Loa (eye worm) hypothetical protein 0.0148 0.1751 0.1751
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0087 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0026 0.0011 0.0014
Loa Loa (eye worm) MH2 domain-containing protein 0.0363 0.4815 0.4815
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0026 0.0011 0.5
Brugia malayi RNA binding protein 0.0386 0.5144 0.5144
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0087 0.0112
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0087 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0386 0.5144 0.665
Brugia malayi RasGEF domain containing protein 0.0026 0.0011 0.0011
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0026 0.0011 0.0014
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0026 0.0011 0.0014
Echinococcus multilocularis GPCR, family 2 0.0063 0.0542 0.0701
Schistosoma mansoni transcription factor LCR-F1 0.008 0.0782 0.1011
Schistosoma mansoni hypothetical protein 0.0063 0.0542 0.0701
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0011 0.0011
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0087 0.0087
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0087 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0373 0.4949 0.4744
Echinococcus granulosus segment polarity protein dishevelled 0.0036 0.0157 0.0204
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0542 0.0542
Loa Loa (eye worm) RNA binding protein 0.0386 0.5144 0.5144
Echinococcus granulosus segment polarity protein dishevelled 0.0036 0.0157 0.0204
Schistosoma mansoni hypothetical protein 0.0063 0.0542 0.0701
Brugia malayi hypothetical protein 0.008 0.0782 0.0782
Brugia malayi MH2 domain containing protein 0.0363 0.4815 0.4815
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 0.5
Schistosoma mansoni hypothetical protein 0.0063 0.0542 0.0701
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0087 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0036 0.0157 0.0157
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0087 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0386 0.5144 0.665
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0026 0.0011 0.0014
Loa Loa (eye worm) hypothetical protein 0.0568 0.7736 0.7736
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.158 0.158
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0196 0.2434 0.3069
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0087 0.0112
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0386 0.5144 0.5144
Brugia malayi TAR-binding protein 0.0386 0.5144 0.5144
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0568 0.7736 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0036 0.0157 0.0204
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0036 0.0157 0.0157
Schistosoma mansoni ras GTP exchange factor 0.0026 0.0011 0.0014
Brugia malayi RasGEF domain containing protein 0.0026 0.0011 0.0011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0542 0.0701
Onchocerca volvulus 0.0148 0.1751 0.1742
Loa Loa (eye worm) hypothetical protein 0.0026 0.0011 0.0011
Schistosoma mansoni dishevelled 0.0036 0.0157 0.0204
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0568 0.7736 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0727 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.0782 0.1011
Brugia malayi N-terminal motif family protein 0.0026 0.0011 0.0011
Echinococcus granulosus regulator of G protein signaling 7 0.0036 0.0157 0.0204
Brugia malayi hypothetical protein 0.0148 0.1751 0.1751
Entamoeba histolytica hypothetical protein 0.008 0.0782 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0568 0.7736 1
Schistosoma mansoni tar DNA-binding protein 0.0386 0.5144 0.665
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0036 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0036 0.0157 0.0157
Entamoeba histolytica hypothetical protein 0.008 0.0782 1
Entamoeba histolytica hypothetical protein 0.008 0.0782 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0036 0.0157 0.0146
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0199 0.2474 0.2474
Brugia malayi RasGEF domain containing protein 0.0026 0.0011 0.0011
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0026 0.0011 0.0014
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0373 0.4949 1
Schistosoma mansoni z-protein (S1r protein) 0.0036 0.0157 0.0204
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0087 0.0112
Loa Loa (eye worm) hypothetical protein 0.0036 0.0157 0.0157
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0542 0.0542
Echinococcus granulosus regulator of G protein signaling 7 0.0036 0.0157 0.0204
Brugia malayi N-terminal motif family protein 0.0026 0.0011 0.0011
Brugia malayi hypothetical protein 0.0036 0.0157 0.0157
Echinococcus multilocularis segment polarity protein dishevelled 0.0036 0.0157 0.0204
Echinococcus multilocularis son of sevenless 1 0.0026 0.0011 0.0014
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0026 0.0011 0.0014
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0026 0.0011 0.0014
Echinococcus multilocularis tar DNA binding protein 0.0386 0.5144 0.665
Echinococcus granulosus son of sevenless 1 0.0026 0.0011 0.0014
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0568 0.7736 1
Schistosoma mansoni regulator of G protein signaling 0.0036 0.0157 0.0204
Schistosoma mansoni hypothetical protein 0.0136 0.158 0.2043
Brugia malayi DIX domain containing protein 0.0036 0.0157 0.0157
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0568 0.7736 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0196 0.2434 0.3069
Schistosoma mansoni peptidase Clp (S14 family) 0.0568 0.7736 1
Toxoplasma gondii hypothetical protein 0.0196 0.2434 0.3069
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0542 0.0701
Echinococcus multilocularis regulator of G protein signaling 7 0.0036 0.0157 0.0204
Onchocerca volvulus 0.0036 0.0157 0.0146
Toxoplasma gondii hypothetical protein 0.0036 0.0157 0.0092
Echinococcus granulosus GPCR family 2 0.0063 0.0542 0.0701
Brugia malayi Calcitonin receptor-like protein seb-1 0.0199 0.2474 0.2474
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0036 0.0157 0.0204

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 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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