Detailed information for compound 1282087

Basic information

Technical information
  • TDR Targets ID: 1282087
  • Name: 5-[(2-chlorophenyl)methylsulfamoyl]-2-ethoxyb enzamide
  • MW: 368.835 | Formula: C16H17ClN2O4S
  • H donors: 2 H acceptors: 3 LogP: 2.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1C(=O)N)S(=O)(=O)NCc1ccccc1Cl
  • InChi: 1S/C16H17ClN2O4S/c1-2-23-15-8-7-12(9-13(15)16(18)20)24(21,22)19-10-11-5-3-4-6-14(11)17/h3-9,19H,2,10H2,1H3,(H2,18,20)
  • InChiKey: HMVBGSNEVXZPDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2-chlorophenyl)methylsulfamoyl]-2-ethoxy-benzamide
  • 5-[(2-chlorobenzyl)sulfamoyl]-2-ethoxy-benzamide
  • NCGC00164777-01
  • SMR000315146
  • MLS000686625
  • 5-{[(2-chlorobenzyl)amino]sulfonyl}-2-ethoxybenzamide
  • AO-080/43378273
  • A3673/0155732
  • ZINC01428446

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.5197 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1572 0.2944
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0512 0.0146
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1536 0.2548
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1536 0.3201
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0191 0.4715 0.5488
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0191 0.4715 0.4715
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.045 0.0831
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4115 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0512 0.0146
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.3098 0.2335
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1572 0.2632
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0191 0.4715 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0191 0.4715 0.4755
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1536 0.1398
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6124 0.6124
Brugia malayi hypothetical protein 0.0148 0.3317 0.4863
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.3098 0.3407
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1536 0.1706
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.045 0.0876
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0191 0.4715 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.3098 0.3643
Mycobacterium ulcerans hypothetical protein 0.0157 0.3618 0.8645
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1572 0.3064
Loa Loa (eye worm) hypothetical protein 0.0148 0.3317 0.4863
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1536 0.2548
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1572 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.8222 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0191 0.4715 1
Brugia malayi Probable ClpP-like protease 0.0094 0.1572 0.0099
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0191 0.4715 0.8682
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0512 0.017
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1572 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.8222 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0191 0.4715 0.8682
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1572 0.3245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1572 0.3278
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.8222 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.3317 0.3881
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4115 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0191 0.4715 0.8682
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1572 0.3064
Onchocerca volvulus Huntingtin homolog 0.0148 0.3317 0.3881
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4115 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.045 0.0876
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0512 0.017
Loa Loa (eye worm) hypothetical protein 0.0094 0.1572 0.0099
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1572 0.3245
Brugia malayi Pre-SET motif family protein 0.0206 0.5197 1
Onchocerca volvulus 0.0234 0.6124 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0191 0.4715 0.565
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0191 0.4715 0.8682
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0191 0.4715 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.8222 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.3317 0.4863
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.3618 0.8645
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0191 0.4715 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1572 0.2632
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0191 0.4715 0.565
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0191 0.4715 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1572 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1536 0.1536
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1536 0.1706
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0191 0.4715 0.4715
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0191 0.4715 0.3756

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0026 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.

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