Detailed information for compound 757007

Basic information

Technical information
  • TDR Targets ID: 757007
  • Name: N-butan-2-yl-2-[(4-methoxyphenyl)sulfonyl-(ph enylmethyl)amino]acetamide
  • MW: 390.496 | Formula: C20H26N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.21 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)CN(S(=O)(=O)c1ccc(cc1)OC)Cc1ccccc1)C
  • InChi: 1S/C20H26N2O4S/c1-4-16(2)21-20(23)15-22(14-17-8-6-5-7-9-17)27(24,25)19-12-10-18(26-3)11-13-19/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)
  • InChiKey: BCCAMGZDMILMDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-N-sec-butyl-acetamide
  • 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-N-sec-butylacetamide
  • 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-N-sec-butyl-acetamide
  • N-butan-2-yl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]ethanamide
  • 2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-sec-butyl-acetamide
  • BAS 02174372

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
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0785 0.0785
Brugia malayi RNA recognition motif domain containing protein 0.0508 1 1
Brugia malayi mbt repeat family protein 0.0052 0.0637 0.057
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.2474 0.4261
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0205 0.3787 0.3787
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0785 0.0719
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0615 0.0615
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1439 0.1439
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0915 0.0914
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0066 0.0066
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0892 0.0892
Loa Loa (eye worm) hypothetical protein 0.0044 0.0471 0.0471
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.2836 0.2836
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 0.0615
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0637 0.0636
Schistosoma mansoni alpha-glucosidase 0.0137 0.2381 0.238
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0071 0.0124
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0785 0.0785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0915 0.0914
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0205 0.3787 0.3787
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0615 0.0548
Loa Loa (eye worm) hypothetical protein 0.0051 0.0615 0.0615
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0619 0.1083
Mycobacterium ulcerans lipase LipD 0.0074 0.1091 0.0931
Loa Loa (eye worm) hypothetical protein 0.0074 0.1091 0.1091
Mycobacterium ulcerans hypothetical protein 0.0074 0.1091 0.0931
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0915 0.0914
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0785 0.0785
Schistosoma mansoni alpha glucosidase 0.0035 0.0291 0.0291
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0364 0.0364
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0785 0.0785
Mycobacterium ulcerans hypothetical protein 0.0157 0.2803 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0082 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.1091 0.1091
Brugia malayi beta-lactamase family protein 0.0074 0.1091 0.1027
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0082 0.0112
Schistosoma mansoni hypothetical protein 0.0164 0.2938 0.2938
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1091 0.109
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0082 0.0144
Brugia malayi beta-lactamase family protein 0.0074 0.1091 0.1027
Schistosoma mansoni bromodomain containing protein 0.0068 0.0972 0.0971
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1091 0.2846
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.1091 0.0209
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0637 0.0636
Schistosoma mansoni tar DNA-binding protein 0.0508 1 1
Brugia malayi PHD-finger family protein 0.0027 0.0119 0.0048
Mycobacterium tuberculosis Conserved protein 0.0074 0.1091 0.0209
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0291 0.0615
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0071 0.007
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 0.0615
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1439 0.1378
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0066 0.0066
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.5712 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0291 0.0291
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0082 0.0144
Loa Loa (eye worm) hypothetical protein 0.0035 0.0283 0.0283
Brugia malayi hypothetical protein 0.0025 0.0082 0.0011
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.1091 0.0931
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.1091 0.0931
Loa Loa (eye worm) hypothetical protein 0.0074 0.1091 0.1091
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1091 0.2846
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0637 0.0637
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0637 0.0636
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0637 0.0636
Brugia malayi mbt repeat family protein 0.0052 0.0637 0.057
Loa Loa (eye worm) hypothetical protein 0.0041 0.0418 0.0418
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.2836 0.2785
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0915 0.0914
Schistosoma mansoni tar DNA-binding protein 0.0508 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.2474 0.4249
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.5712 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0508 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.2803 0.2249
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1439 0.1439
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0291 0.0615
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0637 0.0636
Loa Loa (eye worm) hypothetical protein 0.0074 0.1091 0.1091
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0291 0.216
Schistosoma mansoni hypothetical protein 0.0035 0.0283 0.0283
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.2836 0.2836
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1091 0.1909
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1091 0.1909
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0892 0.0892
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 0.0615
Schistosoma mansoni hypothetical protein 0.0022 0.0024 0.0023
Trypanosoma brucei glucosidase, putative 0.0035 0.0291 0.039
Schistosoma mansoni hypothetical protein 0.0317 0.6078 0.6078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1439 0.1439
Brugia malayi Bromodomain containing protein 0.0081 0.1232 0.117
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1091 0.2846
Schistosoma mansoni tar DNA-binding protein 0.0508 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.1091 0.1027
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.043 0.0636
Echinococcus multilocularis geminin 0.0164 0.2938 0.2938
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0291 0.0615
Trichomonas vaginalis conserved hypothetical protein 0.0199 0.3653 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.2836 0.2836
Schistosoma mansoni tar DNA-binding protein 0.0508 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0915 0.8275
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 0.0615
Trichomonas vaginalis esterase, putative 0.0074 0.1091 0.2846
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.1091 0.0209
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.1091 0.0209
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0291 0.051
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.1091 0.0209
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0082 0.002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.0074 0.1091 0.1091
Onchocerca volvulus 0.0092 0.1457 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.043 0.0752
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0637 0.0636
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.2474 0.4332
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.1091 0.0209
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0291 0.0615
Loa Loa (eye worm) MBCTL1 0.0059 0.0785 0.0785
Mycobacterium tuberculosis Conserved protein 0.0074 0.1091 0.0209
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0291 0.0222
Mycobacterium ulcerans beta-lactamase 0.0074 0.1091 0.0931
Mycobacterium tuberculosis Conserved protein 0.0074 0.1091 0.0209
Loa Loa (eye worm) hypothetical protein 0.0052 0.0637 0.0637
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0071 0.007
Loa Loa (eye worm) hypothetical protein 0.0074 0.1091 0.1091
Mycobacterium leprae conserved hypothetical protein 0.0074 0.1091 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0513 0.0513
Brugia malayi Bromodomain containing protein 0.0041 0.0416 0.0348
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0082 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.043 0.0752
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0024 0.0024
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0291 0.0291
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0283 0.0214
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0637 0.0636
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.2836 0.2836
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.1091 0.1808
Echinococcus granulosus tar DNA binding protein 0.0508 1 1
Schistosoma mansoni eyes absent homolog 0.0091 0.1435 0.1434
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.1091 0.0209
Brugia malayi TAR-binding protein 0.0508 1 1
Loa Loa (eye worm) TAR-binding protein 0.0508 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1435 0.1435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1439 0.1439
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.1091 0.0209
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1091 0.109
Plasmodium vivax hypothetical protein, conserved 0.0074 0.1091 1
Loa Loa (eye worm) beta-lactamase 0.0074 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0091 0.1435 0.1435
Onchocerca volvulus 0.0074 0.1091 0.5533
Mycobacterium leprae Probable lipase LipE 0.0074 0.1091 0.5
Onchocerca volvulus 0.0074 0.1091 0.5533
Schistosoma mansoni alpha-glucosidase 0.0137 0.2381 0.238
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1091 0.2846
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1091 0.2846
Loa Loa (eye worm) RNA binding protein 0.0508 1 1
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0071 0.007
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0915 0.1479
Loa Loa (eye worm) hypothetical protein 0.0204 0.3769 0.3769
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0785 0.0785
Onchocerca volvulus 0.0074 0.1091 0.5533
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 0.0615
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0474 0.9311 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0615 0.0548
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0291 0.0371
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1439 0.1439
Brugia malayi hypothetical protein 0.0091 0.1435 0.1374
Loa Loa (eye worm) hypothetical protein 0.0059 0.0785 0.0785
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0291 1
Schistosoma mansoni hypothetical protein 0.0164 0.2938 0.2938
Echinococcus granulosus geminin 0.0164 0.2938 0.2938
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.5712 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1091 0.1091
Leishmania major hypothetical protein, conserved 0.0074 0.1091 0.1791
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0066 0.0066
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.043 0.0752
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1439 0.1439
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.1091 0.109
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0364 0.0364
Toxoplasma gondii hypothetical protein 0.0048 0.0557 0.4764
Loa Loa (eye worm) hypothetical protein 0.0025 0.0082 0.0082
Brugia malayi beta-lactamase 0.0074 0.1091 0.1027
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.5712 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.1091 0.109
Schistosoma mansoni tar DNA-binding protein 0.0508 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0291 0.0291
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1439 0.1439
Toxoplasma gondii ABC1 family protein 0.0074 0.1091 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0291 0.051
Loa Loa (eye worm) hypothetical protein 0.0076 0.1137 0.1137
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0204 0.3769 0.3724
Echinococcus multilocularis tar DNA binding protein 0.0508 1 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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