Detailed information for compound 1312486

Basic information

Technical information
  • TDR Targets ID: 1312486
  • Name: 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-py ridin-3-ylbenzamide
  • MW: 401.867 | Formula: C19H16ClN3O3S
  • H donors: 1 H acceptors: 4 LogP: 3.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(=O)Nc1cccnc1)C
  • InChi: 1S/C19H16ClN3O3S/c1-23(27(25,26)18-10-6-15(20)7-11-18)17-8-4-14(5-9-17)19(24)22-16-3-2-12-21-13-16/h2-13H,1H3,(H,22,24)
  • InChiKey: DELYBQCSKRGGQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-(3-pyridyl)benzamide
  • 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-pyridyl)benzamide
  • 4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-pyridin-3-yl-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis disco interacting protein 2 0.0037 0.0051 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0118 0.0128
Trypanosoma brucei unspecified product 0.0026 0.0025 0.1659
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0067 0.0069
Schistosoma mansoni hypothetical protein 0.0171 0.0383 0.0433
Plasmodium vivax kinesin-5 0.0527 0.1264 1
Schistosoma mansoni hypothetical protein 0.0043 0.0067 0.0069
Loa Loa (eye worm) hypothetical protein 0.0064 0.0117 0.0765
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0118 0.0111
Schistosoma mansoni hypothetical protein 0.0047 0.0075 0.0079
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0075 0.0596
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0048 0.0041
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.021 0.1661
Trypanosoma brucei unspecified product 0.0038 0.0054 0.4327
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0054 0.0055
Leishmania major DNA polymerase eta, putative 0.0037 0.0052 0.4072
Entamoeba histolytica hypothetical protein 0.0024 0.0018 0.0089
Echinococcus multilocularis GPCR, family 2 0.0047 0.0075 0.0069
Loa Loa (eye worm) hypothetical protein 0.0084 0.0167 0.1166
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0054 0.3387
Schistosoma mansoni hypothetical protein 0.0047 0.0075 0.0079
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0048 0.0047
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0032 0.0029
Entamoeba histolytica hypothetical protein 0.0043 0.0067 0.048
Echinococcus granulosus cpg binding protein 0.0032 0.0039 0.0033
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0032 0.0079
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.0167 0.0185
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0074 0.0067
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0022 0.0125
Giardia lamblia DINP protein human, muc B family 0.0038 0.0054 0.0181
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0052 0.309
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0075 0.0069
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0075 0.0427
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0054 0.0055
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0054 0.0431
Brugia malayi Bromodomain containing protein 0.0029 0.0032 0.0255
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0075 0.0069
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0118 0.0128
Brugia malayi Disco-interacting protein 2 homolog 0.0037 0.0051 0.0407
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0054 0.3387
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0018 0.101
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0258 0.1895
Echinococcus granulosus peregrin 0.0029 0.0032 0.0026
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0276 0.0642 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0054 0.0259
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0054 0.4327
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0118 0.0128
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0326 0.2579
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0276 0.0642 0.5053
Entamoeba histolytica hypothetical protein 0.0043 0.0067 0.048
Entamoeba histolytica hypothetical protein 0.0043 0.0067 0.048
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Schistosoma mansoni hypothetical protein 0.0101 0.021 0.0234
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0054 0.5
Leishmania major DNA polymerase eta, putative 0.0064 0.0117 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0075 0.0596
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0018 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0025 0.1659
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0067 0.006
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0276 0.0642 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0074 0.0067
Brugia malayi hypothetical protein 0.0025 0.0022 0.0177
Onchocerca volvulus 0.0037 0.0051 0.0633
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0018 0.0089
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0048 0.0047
Trypanosoma brucei unspecified product 0.0026 0.0025 0.1659
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0022 0.0125
Echinococcus granulosus dna polymerase eta 0.0064 0.0117 0.0111
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0075 0.0069
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0054 0.3387
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0276 0.0642 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0054 0.4327
Brugia malayi CXXC zinc finger family protein 0.0032 0.0039 0.0312
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0054 0.4327
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0018 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0022 0.0125
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0074 0.0583
Echinococcus multilocularis dna polymerase eta 0.0064 0.0117 0.0111
Echinococcus granulosus disco interacting protein 2 0.0037 0.0051 0.0045
Plasmodium falciparum phd finger protein, putative 0.0029 0.0032 0.0204
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0326 0.2446
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0075 0.0069
Brugia malayi jmjC domain containing protein 0.0036 0.0048 0.0376
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.0167 0.1322
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0054 0.3387
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0052 0.0358
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0054 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0074 0.0067
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0032 0.0204
Entamoeba histolytica hypothetical protein 0.0043 0.0067 0.048
Onchocerca volvulus 0.0084 0.0167 0.4427
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0018 0.0089
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0025 0.1659
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0276 0.0642 0.5053
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0054 0.0588
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0067 0.006
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0018 0.0089
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0032 0.0204
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0039 0.0138
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.0117 1
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0018 0.101
Loa Loa (eye worm) hypothetical protein 0.0148 0.0326 0.2446
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0054 0.0048
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0054 0.4327
Loa Loa (eye worm) hypothetical protein 0.0029 0.0032 0.0079
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0022 0.1422
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0054 0.0588
Echinococcus granulosus GPCR family 2 0.0047 0.0075 0.0069
Schistosoma mansoni DNA polymerase eta 0.0064 0.0117 0.0127
Echinococcus granulosus geminin 0.0171 0.0383 0.0376
Schistosoma mansoni cpg binding protein 0.0032 0.0039 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0074 0.0077
Echinococcus multilocularis geminin 0.0171 0.0383 0.0376
Schistosoma mansoni hypothetical protein 0.0029 0.0032 0.0029
Echinococcus granulosus dna polymerase kappa 0.0038 0.0054 0.0048
Loa Loa (eye worm) kinesin-like protein KLP2 0.0527 0.1264 1
Brugia malayi MH2 domain containing protein 0.012 0.0258 0.2038
Leishmania major hypothetical protein, conserved 0.0025 0.0022 0.1422
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0118 0.0768
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0061 0.0054
Entamoeba histolytica kinesin, putative 0.0527 0.1264 1
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0149 0.0164
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0198 0.0191
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0074 0.0413
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0326 0.2579
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0074 0.0067
Brugia malayi jmjC domain containing protein 0.0096 0.0198 0.1566
Toxoplasma gondii kinesin motor domain-containing protein 0.0527 0.1264 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0082 0.0162 0.1234
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0118 0.0931
Schistosoma mansoni cpg binding protein 0.0032 0.0039 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0074 0.0077
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0032 0.0026
Loa Loa (eye worm) hypothetical protein 0.0101 0.021 0.1512
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0048 0.0041
Schistosoma mansoni hypothetical protein 0.3529 0.8696 1
Plasmodium falciparum kinesin-5 0.0527 0.1264 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0032 0.0204
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.0117 1
Giardia lamblia Kinesin-5 0.0527 0.1264 1
Treponema pallidum hypothetical protein 0.0276 0.0642 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0032 0.0026
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0054 0.0381
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Brugia malayi Kinesin motor domain containing protein 0.0527 0.1264 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0061 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Loa Loa (eye worm) hypothetical protein 0.0047 0.0075 0.0427
Schistosoma mansoni hypothetical protein 0.0047 0.0075 0.0079
Schistosoma mansoni cpg binding protein 0.0032 0.0039 0.0038
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0054 0.0048
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0198 0.0191
Leishmania major DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Echinococcus multilocularis peregrin 0.0029 0.0032 0.0026
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0258 0.1895
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0074 0.0077
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0054 0.0588
Brugia malayi hypothetical protein 0.0043 0.0067 0.0529
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0022 0.0125
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0018 0.0089
Schistosoma mansoni hypothetical protein 0.0047 0.0075 0.0079
Toxoplasma gondii hypothetical protein 0.0082 0.0162 0.1234
Onchocerca volvulus 0.0152 0.0337 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0118 0.0128
Loa Loa (eye worm) hypothetical protein 0.005 0.0084 0.0499
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0048 0.0203
Schistosoma mansoni hypothetical protein 0.0171 0.0383 0.0433
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0118 0.0128
Brugia malayi PHD-finger family protein 0.0029 0.0032 0.0255
Brugia malayi TAR-binding protein 0.0064 0.0118 0.0931
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.011 0.0704
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.0167 0.0161
Loa Loa (eye worm) hypothetical protein 0.0152 0.0337 0.2534
Brugia malayi hypothetical protein 0.0152 0.0337 0.2665
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0037 0.0051 0.0052
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.0167 0.0161
Loa Loa (eye worm) RNA binding protein 0.0064 0.0118 0.0768
Echinococcus multilocularis kinesin family 1 0.4056 1 1
Onchocerca volvulus 0.0032 0.0039 0.024
Echinococcus multilocularis cpg binding protein 0.0032 0.0039 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0025 0.1659
Loa Loa (eye worm) hypothetical protein 0.0037 0.0051 0.0235
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0054 0.0588
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0054 0.0048
Schistosoma mansoni kinesin eg-5 0.0527 0.1264 0.1447
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0118 0.0768
Echinococcus granulosus tar DNA binding protein 0.0064 0.0118 0.0111
Brugia malayi RNA binding protein 0.0064 0.0118 0.0931
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0054 0.4327
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.0117 0.0928

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 79.4328 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

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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