Detailed information for compound 1404099

Basic information

Technical information
  • TDR Targets ID: 1404099
  • Name: N-(3-methoxyphenyl)-2-phenyl-2-[2-(4-sulfamoy lphenyl)ethylamino]acetamide
  • MW: 439.527 | Formula: C23H25N3O4S
  • H donors: 3 H acceptors: 3 LogP: 2.89 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)C(c1ccccc1)NCCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C23H25N3O4S/c1-30-20-9-5-8-19(16-20)26-23(27)22(18-6-3-2-4-7-18)25-15-14-17-10-12-21(13-11-17)31(24,28)29/h2-13,16,22,25H,14-15H2,1H3,(H,26,27)(H2,24,28,29)
  • InChiKey: FXDPPCSSWMCCOC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxyphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethanamide
  • T5360516

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0299 0.6691
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0443 0.5531
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0797 0.4195
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0797 1
Entamoeba histolytica hypothetical protein, conserved 0.0018 0.0006 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0668 0.1067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0797 0.0797
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0862 0.1376
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0013
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0797 0.4195
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0797 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0018 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0797 0.1622
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1202 0.2437
Echinococcus granulosus peregrin 0.0033 0.053 0.0847
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.1123 0.1123
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0443 0.0903
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0797 0.0935
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1051 0.1679
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0018 0.0006 0.0006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1051 0.213
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0299 0.1553
Loa Loa (eye worm) hypothetical protein 0.0041 0.0797 0.1622
Mycobacterium leprae Probable lipase LipE 0.0041 0.0797 0.4195
Onchocerca volvulus 0.0041 0.0797 0.1611
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0797 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.1123 0.1793
Mycobacterium tuberculosis Conserved protein 0.0041 0.0797 0.0935
Mycobacterium ulcerans hypothetical protein 0.0041 0.0797 0.1715
Loa Loa (eye worm) hypothetical protein 0.0041 0.0797 0.1622
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.1123 0.2286
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0797 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1123 0.2286
Onchocerca volvulus 0.016 0.4912 1
Brugia malayi MH2 domain containing protein 0.0127 0.375 0.7631
Onchocerca volvulus 0.0041 0.0797 0.1611
Brugia malayi mbt repeat family protein 0.0051 0.1123 0.2276
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0152 0.4614 0.5453
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0797 0.0935
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.1365 0.2179
Schistosoma mansoni hypothetical protein 0.0036 0.0624 0.0624
Brugia malayi PHD-finger family protein 0.0026 0.0288 0.0574
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0201 0.0321
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0018 0.0006 0.001
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0299 0.6691
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0018 0.0006 0.0013
Loa Loa (eye worm) MBCTL1 0.0058 0.1365 0.2779
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.1563 0.2495
Entamoeba histolytica alkyl sulfatase, putative 0.0018 0.0006 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.1123 0.1793
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0738 0.0738
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1051 0.1051
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0201 0.0201
Brugia malayi PHD-finger family protein 0.0031 0.0443 0.0891
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.2874 0.4589
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0201 0.0321
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0797 0.0935
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0692 0.1105
Schistosoma mansoni bromodomain containing protein 0.0067 0.1694 0.1694
Toxoplasma gondii ABC1 family protein 0.0041 0.0797 1
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0018 0.0006 0.0013
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.375 0.7634
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0797 0.1715
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1051 0.1051
Loa Loa (eye worm) hypothetical protein 0.0053 0.1202 0.2447
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0797 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0152 0.4614 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0073 0.189 0.2229
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1051 0.214
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0299 0.3701
Onchocerca volvulus 0.0051 0.1123 0.2276
Leishmania major hypothetical protein, conserved 0.0041 0.0797 1
Schistosoma mansoni hypothetical protein 0.0018 0.0006 0.0006
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.6263 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1051 0.1679
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0797 0.1272
Brugia malayi Bromodomain containing protein 0.008 0.2123 0.4315
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0018 0.0006 0.0013
Loa Loa (eye worm) hypothetical protein 0.0031 0.0443 0.0903
Brugia malayi hypothetical protein 0.0027 0.0299 0.0596
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0797 1
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.1123 0.1123
Loa Loa (eye worm) hypothetical protein 0.0027 0.0299 0.0608
Entamoeba histolytica alkyl sulfatase, putative 0.0018 0.0006 0.5
Onchocerca volvulus 0.0041 0.0797 0.1611
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0797 0.0935
Loa Loa (eye worm) hypothetical protein 0.0075 0.1966 0.4003
Schistosoma mansoni zinc phosphodiesterase 0.0018 0.0006 0.0006
Trypanosoma brucei beta lactamase 0.0073 0.189 1
Echinococcus multilocularis zinc phosphodiesterase 0.0018 0.0006 0.001
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0797 0.0935
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0738 0.0738
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.1123 0.1793
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0013
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0443 0.0443
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.1365 0.2179
Schistosoma mansoni hypothetical protein 0.0022 0.0131 0.0131
Onchocerca volvulus Alhambra homolog 0.0031 0.0443 0.0891
Brugia malayi beta-lactamase 0.0041 0.0797 0.1611
Entamoeba histolytica metallo-beta-lactamase family protein 0.0018 0.0006 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0797 0.0935
Brugia malayi mbt repeat family protein 0.0051 0.1123 0.2276
Brugia malayi jmjC domain containing protein 0.0039 0.0738 0.1492
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0443 0.5531
Mycobacterium ulcerans lipoprotein LpqF 0.0073 0.189 0.4088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1202 0.2447
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0738 0.1179
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.8456 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0624 0.127
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0018 0.0006 0.001
Brugia malayi beta-lactamase family protein 0.0041 0.0797 0.1611
Loa Loa (eye worm) hypothetical protein 0.0058 0.1365 0.2779
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0013
Loa Loa (eye worm) beta-lactamase 0.0041 0.0797 0.1622
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0797 0.1715
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.0006 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1202 0.2437
Brugia malayi beta-lactamase family protein 0.0041 0.0797 0.1611
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0018 0.0006 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0299 0.3701
Echinococcus multilocularis ETHE1 protein 0.0018 0.0006 0.001
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0738 0.1503
Loa Loa (eye worm) hypothetical protein 0.0041 0.0781 0.159
Loa Loa (eye worm) hypothetical protein 0.0043 0.0868 0.1767
Mycobacterium ulcerans lipase LipD 0.0041 0.0797 0.1715
Loa Loa (eye worm) hypothetical protein 0.0045 0.0938 0.1909
Schistosoma mansoni hypothetical protein 0.0031 0.0443 0.0443
Giardia lamblia PHD finger protein 15 0.0031 0.0443 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0443 0.0708
Loa Loa (eye worm) hypothetical protein 0.0041 0.0797 0.1622
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0013
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.1365 0.2179
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0624 0.1259
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.1123 0.1123
Echinococcus multilocularis zinc finger protein 0.0021 0.0092 0.0148
Brugia malayi jmjC domain containing protein 0.0101 0.2874 0.5845
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0073 0.189 1
Loa Loa (eye worm) hypothetical protein 0.016 0.4912 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1207 0.2456
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0797 0.1272
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.1365 0.2769
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0299 0.3701
Brugia malayi Bromodomain containing protein 0.0033 0.053 0.1068
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0692 0.1105
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0443 0.0708
Echinococcus multilocularis peregrin 0.0033 0.053 0.0847
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1051 0.1679
Mycobacterium tuberculosis Conserved protein 0.0041 0.0797 0.0935
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0862 0.1376
Loa Loa (eye worm) hypothetical protein 0.0041 0.0797 0.1622
Chlamydia trachomatis ribonuclease Z 0.0018 0.0006 0.5
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0018 0.0006 0.001
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.0006 0.5
Schistosoma mansoni zinc phosphodiesterase 0.0018 0.0006 0.0006
Schistosoma mansoni jumonji domain containing protein 0.008 0.2155 0.2155
Echinococcus granulosus ETHE1 protein 0.0018 0.0006 0.001
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.1123 0.1793
Schistosoma mansoni hypothetical protein 0.0018 0.0006 0.0006
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0797 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0018 0.0006 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0131 0.0267
Plasmodium falciparum phd finger protein, putative 0.0031 0.0443 1
Schistosoma mansoni hypothetical protein 0.0018 0.0006 0.0006
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.6263 1
Brugia malayi Bromodomain containing protein 0.0041 0.0778 0.1574
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1051 0.1051
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0797 0.0935
Trichomonas vaginalis esterase, putative 0.0041 0.0797 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0797 0.1715
Entamoeba histolytica metallo-beta-lactamase family protein 0.0018 0.0006 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0797 0.0797
Echinococcus granulosus zinc finger protein 0.0021 0.0092 0.0148
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.375 0.7634
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.1365 0.1365
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.1581 0.3218
Schistosoma mansoni zinc finger protein 0.0021 0.0092 0.0092
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.1563 0.2495
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0018 0.0006 0.5
Treponema pallidum ribonuclease Z 0.0018 0.0006 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0443 0.5531
Loa Loa (eye worm) hypothetical protein 0.0041 0.0797 0.1622
Brugia malayi hypothetical protein 0.016 0.4912 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0797 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1051 0.1679
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.1123 0.2276
Leishmania major hypothetical protein, conserved 0.0027 0.0299 0.3701
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.2874 0.4589
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0018 0.0006 0.001
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0018 0.0006 0.001
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0797 0.1611
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0797 0.1622
Mycobacterium tuberculosis Conserved protein 0.0041 0.0797 0.0935
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.1365 0.2179
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0018 0.0006 0.001
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0022 0.0046
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0299 0.3701
Echinococcus granulosus zinc phosphodiesterase 0.0018 0.0006 0.001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) 20.5962 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) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 125.8925 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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