Detailed information for compound 583301

Basic information

Technical information
  • TDR Targets ID: 583301
  • Name: 1-butyl-3-(p-tolylsulfonyl)urea; 1-carbamimid oyl-1-phenethyl-guanidine
  • MW: 475.608 | Formula: C22H33N7O3S
  • H donors: 4 H acceptors: 3 LogP: 2.61 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N(C(=N)N)CCc1ccccc1.CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C12H18N2O3S.C10H15N5/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;11-9(12)15(10(13)14)7-6-8-4-2-1-3-5-8/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);1-5H,6-7H2,(H3,11,12)(H3,13,14)
  • InChiKey: BUWNGSJJCOWGCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-butyl-3-(p-tolylsulfonyl)urea; 1-carbamimidoyl-1-phenethylguanidine
  • 1-butyl-3-(4-methylphenyl)sulfonyl-urea; 1-carbamimidoyl-1-phenethyl-guanidine
  • 1-amidino-1-phenethyl-guanidine; 1-butyl-3-tosyl-urea
  • 1-butyl-3-(4-methylphenyl)sulfonylurea; 1-carbamimidoyl-1-phenethylguanidine
  • tolbutaphen
  • 1-amidino-1-phenethyl-guanidine; 1-butyl-3-(4-methylphenyl)sulfonyl-urea
  • 78939-99-8
  • Benzenesulfonamide, N-((butylamino)carbonyl)-4-methyl-, mixt. with N-(2-phenylethyl)imidodicarbonimidic diamide

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
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Echinococcus granulosus G protein signaling modulator 2 0.0012 0.0027 0.0019
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0212 0.0196
Brugia malayi Pre-SET motif family protein 0.0214 0.0994 0.098
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Leishmania major alpha glucosidase II subunit, putative 0.0446 0.2104 1
Giardia lamblia Ceramide glucosyltransferase 0.046 0.2172 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0143 0.0223
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1348 0.642 0.6414
Schistosoma mansoni starch branching enzyme II 0.0012 0.0025 0.0019
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0042
Echinococcus multilocularis alpha glucosidase 0.005 0.0208 0.0199
Leishmania major glycosyl hydrolase-like protein 0.0211 0.0978 0.4256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0192 0.0207
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0012 0.0025 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.1348 0.642 1
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0042
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0042
Trichomonas vaginalis alpha-glucosidase, putative 0.0446 0.2104 0.3277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0192 0.0207
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0143 0.0135
Schistosoma mansoni bile acid beta-glucosidase-related 0.1021 0.4855 0.5467
Echinococcus multilocularis GPCR, family 2 0.0016 0.0045 0.0037
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0211 0.0978 0.1427
Echinococcus granulosus cpg binding protein 0.0031 0.0117 0.0108
Echinococcus granulosus alpha glucosidase 0.005 0.0208 0.0199
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0045 0.0028
Trichomonas vaginalis glucosylceramidase, putative 0.0932 0.443 0.6899
Trichomonas vaginalis alpha-glucosidase, putative 0.0211 0.0978 0.1523
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0045 0.0037
Trichomonas vaginalis glucosylceramidase, putative 0.1348 0.642 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0118 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0446 0.2104 1
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.001
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.011 0.0101
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.0994 0.0979
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Schistosoma mansoni alpha-glucosidase 0.186 0.8873 1
Trichomonas vaginalis set domain proteins, putative 0.0244 0.1136 0.1769
Loa Loa (eye worm) hypothetical protein 0.0031 0.0118 0.0101
Schistosoma mansoni inositol monophosphatase 0.0036 0.0143 0.0152
Schistosoma mansoni alpha-amylase 0.005 0.0208 0.0225
Trypanosoma brucei glycosyl hydrolase-like protein 0.0211 0.0978 0.4256
Onchocerca volvulus 0.1301 0.6195 1
Echinococcus multilocularis dnaJ subfamily B 0.0418 0.1971 0.1964
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0211 0.0978 0.4256
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0446 0.2104 0.2091
Chlamydia trachomatis glycogen hydrolase 0.0012 0.0025 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0211 0.0978 0.1523
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Trichomonas vaginalis alpha-glucosidase, putative 0.0211 0.0978 0.1523
Loa Loa (eye worm) hypothetical protein 0.0051 0.0212 0.0195
Trichomonas vaginalis glucosylceramidase, putative 0.0932 0.443 0.6899
Schistosoma mansoni inositol monophosphatase 0.0036 0.0143 0.0152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0192 0.0184
Schistosoma mansoni alpha-amylase 0.005 0.0208 0.0225
Trypanosoma cruzi hypothetical protein, conserved 0.0446 0.2104 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0118 0.0124
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Brugia malayi Alpha amylase, catalytic domain containing protein 0.005 0.0208 0.0192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0118 0.0124
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0801 0.3804 0.3799
Brugia malayi Pre-SET motif family protein 0.0031 0.0118 0.0102
Brugia malayi GoLoco motif family protein 0.0012 0.0027 0.0011
Echinococcus multilocularis lysosomal alpha glucosidase 0.2095 1 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0012 0.0025 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0125 0.544
Trichomonas vaginalis maltase-glucoamylase, putative 0.0211 0.0978 0.1523
Echinococcus multilocularis ceramide glucosyltransferase 0.1015 0.483 0.4826
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Loa Loa (eye worm) alpha amylase 0.005 0.0208 0.0191
Echinococcus multilocularis lysosomal alpha glucosidase 0.2095 1 1
Echinococcus granulosus GPCR family 2 0.0016 0.0045 0.0037
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0446 0.2104 0.3277
Echinococcus multilocularis cpg binding protein 0.0031 0.0117 0.0108
Echinococcus granulosus bile acid beta glucosidase 0.1021 0.4855 0.4851
Trichomonas vaginalis glucosylceramidase, putative 0.1348 0.642 1
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.005 0.0208 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0045 0.0029
Brugia malayi Alpha amylase, catalytic domain containing protein 0.005 0.0208 0.0192
Trichomonas vaginalis alpha-glucosidase, putative 0.0446 0.2104 0.3277
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0045 0.0037
Loa Loa (eye worm) raf kinase 0.0044 0.018 0.0163
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0118 0.0124
Loa Loa (eye worm) hypothetical protein 0.0689 0.3267 0.3255
Loa Loa (eye worm) inositol-1 0.0036 0.0143 0.0126
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0272 0.0297
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0118 0.011
Schistosoma mansoni hypothetical protein 0.0035 0.0135 0.0143
Echinococcus multilocularis bile acid beta glucosidase 0.1021 0.4855 0.4851
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Brugia malayi Ceramide glucosyltransferase 0.1015 0.483 0.4822
Trichomonas vaginalis alpha-glucosidase, putative 0.0446 0.2104 0.3277
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Trichomonas vaginalis alpha-glucosidase, putative 0.0211 0.0978 0.1523
Schistosoma mansoni hypothetical protein 0.0418 0.1971 0.2213
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0025 0.004
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0211 0.0978 0.1523
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0017 0.0009
Onchocerca volvulus Glucosylceramidase homolog 0.0884 0.4202 0.6724
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0118 0.0124
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0118 0.011
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0017 0.0009
Echinococcus granulosus raf serine:threonine protein kinase 0.0044 0.018 0.0172
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0109 0.0092
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0192 0.0175
Schistosoma mansoni alpha glucosidase 0.0446 0.2104 0.2364
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0143 0.0565
Loa Loa (eye worm) hypothetical protein 0.0035 0.0135 0.0118
Loa Loa (eye worm) hypothetical protein 0.0016 0.0045 0.0028
Onchocerca volvulus 0.0031 0.0118 0.0015
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0143 0.0223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0192 0.0184
Echinococcus granulosus dnaJ subfamily B 0.0418 0.1971 0.1964
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0045 0.0037
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0212 0.0196
Schistosoma mansoni cpg binding protein 0.0029 0.0109 0.0113
Trichomonas vaginalis amylase, putative 0.0012 0.0025 0.004
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.1015 0.483 0.7757
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0446 0.2104 0.3277
Echinococcus granulosus lysosomal alpha glucosidase 0.2095 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0118 0.0445
Loa Loa (eye worm) hypothetical protein 0.0211 0.0978 0.0962
Trichomonas vaginalis amylase, putative 0.0012 0.0025 0.004
Schistosoma mansoni alpha-amylase 0.005 0.0208 0.0225
Trichomonas vaginalis alpha-glucosidase, putative 0.0446 0.2104 0.3277
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.2095 1 1
Loa Loa (eye worm) alpha amylase 0.005 0.0208 0.0191
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0008
Trichomonas vaginalis alpha-glucosidase, putative 0.0446 0.2104 0.3277
Echinococcus multilocularis raf serine:threonine protein kinase 0.0044 0.018 0.0172
Schistosoma mansoni alpha-glucosidase 0.186 0.8873 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.1021 0.4855 0.4851
Trichomonas vaginalis alpha-glucosidase, putative 0.0211 0.0978 0.1523
Mycobacterium ulcerans trehalose synthase TreS 0.005 0.0208 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0446 0.2104 1
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0012 0.0025 0.5
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.005 0.0208 0.0877
Schistosoma mansoni ceramide glucosyltransferase 0.1015 0.483 0.5439
Echinococcus granulosus ceramide glucosyltransferase 0.1015 0.483 0.4826
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0192 0.0176
Trichomonas vaginalis sucrase-isomaltase, putative 0.0446 0.2104 0.3277
Schistosoma mansoni bile acid beta-glucosidase-related 0.1021 0.4855 0.5467
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0118 0.011
Trichomonas vaginalis amylase, putative 0.0012 0.0025 0.004
Brugia malayi Glycosyl hydrolases family 31 protein 0.0446 0.2104 0.2091
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0211 0.0978 0.4581
Brugia malayi Glycosyl hydrolases family 31 protein 0.0211 0.0978 0.0963
Schistosoma mansoni cpg binding protein 0.0031 0.0117 0.0122
Trichomonas vaginalis maltase-glucoamylase, putative 0.0446 0.2104 0.3277
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0143 0.0565
Trichomonas vaginalis amylase, putative 0.0012 0.0025 0.004
Brugia malayi Raf kinase 0.0044 0.018 0.0164
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0143 0.6445
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0446 0.2104 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0192 0.0184
Echinococcus multilocularis G protein signaling modulator 2 0.0012 0.0027 0.0019
Trypanosoma brucei glucosidase, putative 0.0446 0.2104 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0109 0.0092
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.018 0.0194
Trichomonas vaginalis glucosylceramidase, putative 0.1348 0.642 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.1015 0.483 0.4821
Mycobacterium leprae Putative uncharacterized protein ML2045 0.005 0.0208 1
Trichomonas vaginalis glucosylceramidase, putative 0.1348 0.642 1
Trichomonas vaginalis starch branching enzyme II, putative 0.0012 0.0025 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.0884 0.4202 0.6544
Schistosoma mansoni alpha-amylase 0.005 0.0208 0.0225
Trichomonas vaginalis alpha-amylase, putative 0.0012 0.0025 0.004
Echinococcus multilocularis neutral alpha glucosidase AB 0.0446 0.2104 0.2097
Schistosoma mansoni cpg binding protein 0.0031 0.0117 0.0122
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0446 0.2104 1
Onchocerca volvulus 0.0244 0.1136 0.1687
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0012 0.0025 0.0009
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0012 0.0025 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.1348 0.642 1
Schistosoma mansoni hypothetical protein 0.0012 0.0025 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0192 0.0207
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0042
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.024 0.1032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0045 0.0037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0212 0.0195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0192 0.0184
Trichomonas vaginalis alpha-glucosidase, putative 0.0211 0.0978 0.1523
Mycobacterium tuberculosis Trehalose synthase TreS 0.005 0.0208 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1348 0.642 0.6414
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0143 0.5
Brugia malayi Inositol-1 0.0036 0.0143 0.0127
Loa Loa (eye worm) GoLoco domain-containing protein family protein 0.0012 0.0027 0.001
Schistosoma mansoni alpha-amylase 0.005 0.0208 0.0225
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0012 0.0025 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0135 0.0119
Schistosoma mansoni ceramide glucosyltransferase 0.1015 0.483 0.5439
Schistosoma mansoni hypothetical protein 0.0012 0.0027 0.0021
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1021 0.4855 0.4851
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0143 0.0135
Brugia malayi GoLoco motif family protein 0.0012 0.0027 0.0011
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0211 0.0978 0.4256
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0045 0.0029
Echinococcus granulosus neutral alpha glucosidase AB 0.0446 0.2104 0.2097
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0143 0.0223

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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