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

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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