Detailed information for compound 1392396

Basic information

Technical information
  • TDR Targets ID: 1392396
  • Name: N-[4-(phenylmethyl-pyridin-2-ylsulfamoyl)phen yl]acetamide
  • MW: 381.448 | Formula: C20H19N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(c1ccccn1)Cc1ccccc1
  • InChi: 1S/C20H19N3O3S/c1-16(24)22-18-10-12-19(13-11-18)27(25,26)23(20-9-5-6-14-21-20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,24)
  • InChiKey: MDZSHFJKEJLBLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(phenylmethyl-(2-pyridyl)sulfamoyl)phenyl]acetamide
  • N-[4-(benzyl-(2-pyridyl)sulfamoyl)phenyl]acetamide
  • N-[4-(phenylmethyl-pyridin-2-yl-sulfamoyl)phenyl]ethanamide
  • Oprea1_351790
  • ZINC00854685
  • ST031823
  • CBMicro_025065
  • BIM-0025122.P001
  • Oprea1_326177
  • BAS 00627932
  • N-[4-(Benzyl-pyridin-2-yl-sulfamoyl)-phenyl]-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1293 0.3256
Mycobacterium ulcerans lipase LipD 0.0043 0.1047 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1047 0.4344
Trichomonas vaginalis chromobox protein, putative 0.007 0.2051 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1497 0.1761
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1047 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0993 0.8898
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1047 0.1113
Brugia malayi beta-lactamase family protein 0.0043 0.1047 0.2634
Schistosoma mansoni chromobox protein 0.007 0.2051 0.2561
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1497 0.1761
Loa Loa (eye worm) hypothetical protein 0.0039 0.088 0.1641
Leishmania major hypothetical protein, conserved 0.0025 0.035 0.0956
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1047 0.1113
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0444 0.0942
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1047 0.4344
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0276 0.2639
Schistosoma mansoni chromobox protein 0.007 0.2051 0.2561
Schistosoma mansoni eyes absent homolog 0.0106 0.3452 0.4583
Loa Loa (eye worm) hypothetical protein 0.0106 0.3452 0.8638
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.088 0.6584
Schistosoma mansoni hypothetical protein 0.0205 0.7205 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.1047 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.035 0.02
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0276 0.2639
Loa Loa (eye worm) hypothetical protein 0.0043 0.1047 0.2097
Loa Loa (eye worm) hypothetical protein 0.0034 0.0689 0.1124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1497 0.1761
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0689 0.1727
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0276 0.068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1293 0.2765
Brugia malayi hypothetical protein 0.0106 0.3452 0.8731
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0993 0.404
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1047 0.2634
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1047 0.4344
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1047 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.1047 1
Echinococcus multilocularis geminin 0.0205 0.7205 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1293 0.3256
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1047 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.035 0.5
Echinococcus multilocularis chromobox protein 1 0.007 0.2051 0.2561
Trypanosoma brucei unspecified product 0.0023 0.0276 0.2639
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0444 0.0942
Loa Loa (eye worm) hypothetical protein 0.0106 0.3452 0.8638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1497 0.3773
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1047 0.1113
Brugia malayi beta-lactamase family protein 0.0043 0.1047 0.2634
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.088 0.34
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1497 0.1761
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1047 1
Brugia malayi hypothetical protein 0.0025 0.035 0.0866
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0276 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.1047 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1047 0.0793
Loa Loa (eye worm) beta-lactamase 0.0043 0.1047 0.2097
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1047 0.0793
Mycobacterium tuberculosis Conserved protein 0.0043 0.1047 0.0793
Trichomonas vaginalis esterase, putative 0.0043 0.1047 0.4344
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0276 0.2639
Onchocerca volvulus 0.0043 0.1047 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Loa Loa (eye worm) hypothetical protein 0.0043 0.1047 0.2097
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.2051 0.4827
Toxoplasma gondii ABC1 family protein 0.0043 0.1047 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.035 0.0956
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1047 1
Echinococcus granulosus chromobox protein 1 0.007 0.2051 0.2561
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3953 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1047 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Onchocerca volvulus 0.0043 0.1047 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1047 0.1113
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Mycobacterium tuberculosis Conserved protein 0.0043 0.1047 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Leishmania major hypothetical protein, conserved 0.0043 0.1047 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1497 0.1761
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1497 0.1761
Loa Loa (eye worm) hypothetical protein 0.0043 0.1047 0.2097
Schistosoma mansoni hypothetical protein 0.0034 0.0689 0.0596
Onchocerca volvulus 0.0043 0.1047 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1047 0.4344
Echinococcus granulosus chromobox protein 1 0.007 0.2051 0.2561
Brugia malayi Heterochromatin protein 1 0.007 0.2051 0.5179
Brugia malayi beta-lactamase 0.0043 0.1047 0.2634
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.035 0.3343
Schistosoma mansoni hypothetical protein 0.0205 0.7205 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.035 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1047 0.0793
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3953 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1047 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1047 0.2097
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1497 0.1761
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.035 0.0956
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0993 0.404
Echinococcus multilocularis chromobox protein 1 0.007 0.2051 0.2561
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1047 0.0793
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1497 0.3319
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.088 0.34
Brugia malayi MH2 domain containing protein 0.012 0.3953 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1047 0.2097
Loa Loa (eye worm) hypothetical protein 0.005 0.1293 0.2765
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1047 0.4344
Echinococcus granulosus geminin 0.0205 0.7205 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0276 0.068
Loa Loa (eye worm) hypothetical protein 0.0031 0.0557 0.0763
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1047 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0276 0.5
Trichomonas vaginalis chromobox protein, putative 0.007 0.2051 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0276 0.2639
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1047 0.0793
Loa Loa (eye worm) hypothetical protein 0.0043 0.1047 0.2097
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1047 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639
Brugia malayi chromobox protein homolog 3 0.0039 0.088 0.2209
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1047 0.2097
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1047 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0276 0.2639

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 1.1582 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 15.8489 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 39.8107 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) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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