Detailed information for compound 718781

Basic information

Technical information
  • TDR Targets ID: 718781
  • Name: 2-[(3-chloro-4-methylphenyl)-(4-methylphenyl) sulfonylamino]-N-cyclopropylacetamide
  • MW: 392.9 | Formula: C19H21ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)Cl)C)NC1CC1
  • InChi: 1S/C19H21ClN2O3S/c1-13-3-9-17(10-4-13)26(24,25)22(12-19(23)21-15-6-7-15)16-8-5-14(2)18(20)11-16/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,21,23)
  • InChiKey: BHKHZRQDRDOJCI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(3-chloro-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-cyclopropyl-acetamide
  • 2-[(3-chloro-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-cyclopropyl-ethanamide
  • ZINC01110184

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related 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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 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 multilocularis peptidase Clp (S14 family) 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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 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
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative 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
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Probable ClpP-like protease 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 1
Brugia malayi Probable ClpP-like protease 0.0094 0.5355 0.5355
Brugia malayi hypothetical protein 0.0039 0.1596 0.1596
Echinococcus granulosus tar DNA binding protein 0.0076 0.4134 0.3999
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.5355 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4134 0.762
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1729 0.1729
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4134 0.762
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1596 0.1402
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0928 0.0928
Echinococcus granulosus lamin dm0 0.0029 0.0928 0.0719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2319 0.2142
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2319 0.4082
Loa Loa (eye worm) hypothetical protein 0.0041 0.1729 0.1729
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 0.5
Echinococcus multilocularis muscleblind protein 1 0.0163 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.1667 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0225 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2319 0.4082
Echinococcus granulosus lamin 0.0029 0.0928 0.0719
Schistosoma mansoni inositol monophosphatase 0.004 0.1667 0.281
Echinococcus granulosus intermediate filament protein 0.0029 0.0928 0.0719
Brugia malayi TAR-binding protein 0.0076 0.4134 0.4134
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0928 0.0928
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.5355 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4134 0.4134
Onchocerca volvulus 0.0029 0.0928 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4134 0.3999
Loa Loa (eye worm) hypothetical protein 0.0094 0.5355 0.5355
Loa Loa (eye worm) hypothetical protein 0.0163 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.3141 0.2983
Brugia malayi RNA binding protein 0.0076 0.4134 0.4134
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.5355 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3025 0.3025
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4134 0.4134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2319 0.2142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2319 0.4082
Loa Loa (eye worm) inositol-1 0.004 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.0029 0.0891 0.0891
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.1667 0.5
Schistosoma mansoni lamin 0.0029 0.0928 0.137
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.5355 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4134 0.762
Schistosoma mansoni lamin 0.0029 0.0928 0.137
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3025 0.3025
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.1667 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.1667 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.1596 0.2671
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.5355 0.5248
Echinococcus multilocularis muscleblind protein 0.0163 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.3141 1
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.1667 0.1475
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0225 0.0225
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.1667 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.1667 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0225 0.0225
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3025 0.3025
Echinococcus granulosus inositol monophosphatase 1 0.004 0.1667 0.1475
Loa Loa (eye worm) RNA binding protein 0.0076 0.4134 0.4134
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.138 0.0562
Onchocerca volvulus 0.0029 0.0928 0.5
Schistosoma mansoni inositol monophosphatase 0.004 0.1667 0.281
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.2319 0.2319
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1596 0.1402
Echinococcus multilocularis lamin dm0 0.0029 0.0928 0.0719
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.5355 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.2319 0.2319
Echinococcus granulosus muscleblind protein 0.0163 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4134 0.762
Loa Loa (eye worm) hypothetical protein 0.0029 0.0928 0.0928
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2319 0.2142
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0928 0.0928
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4134 0.762
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.1667 0.1243
Brugia malayi Inositol-1 0.004 0.1667 0.1667
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1596 0.2671
Echinococcus multilocularis musashi 0.0029 0.0928 0.0719
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.5355 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4134 0.4134
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.3141 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.1667 0.5
Brugia malayi intermediate filament protein 0.0029 0.0928 0.0928
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0225 0.0225
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.3141 0.2983
Loa Loa (eye worm) hypothetical protein 0.006 0.3025 0.3025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2319 0.2142
Schistosoma mansoni intermediate filament proteins 0.0029 0.0928 0.137
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.5355 0.5248
Schistosoma mansoni hypothetical protein 0.0041 0.1729 0.2932
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.1667 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.3141 0.4744
Loa Loa (eye worm) hypothetical protein 0.0163 1 1
Echinococcus multilocularis lamin 0.0029 0.0928 0.0719

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1995 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) 3.1623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.

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