Detailed information for compound 1407283

Basic information

Technical information
  • TDR Targets ID: 1407283
  • Name: 1,3-bis(4-sulfamoylphenyl)urea
  • MW: 370.404 | Formula: C13H14N4O5S2
  • H donors: 4 H acceptors: 5 LogP: -0.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N)Nc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C13H14N4O5S2/c14-23(19,20)11-5-1-9(2-6-11)16-13(18)17-10-3-7-12(8-4-10)24(15,21)22/h1-8H,(H2,14,19,20)(H2,15,21,22)(H2,16,17,18)
  • InChiKey: PVCXPCQIMQZFRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-({[4-(aminosulfonyl)anilino]carbonyl}amino)benzene-1-sulfonamide
  • MLS000850727
  • SMR000456744

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0115 0.0191
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0115 0.0191
Toxoplasma gondii hypothetical protein 0.0044 0.0275 0.2138
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0026 0.0113
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0238 0.0402
Mycobacterium ulcerans integral membrane transporter 0.0039 0.0238 0.0125
Plasmodium falciparum transporter, putative 0.0044 0.0275 0.1489
Schistosoma mansoni carbonic anhydrase-related 0.0168 0.1192 0.49
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0026 0.0113
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0026 0.0105
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0026 0.0113
Schistosoma mansoni cpg binding protein 0.0035 0.0204 0.0837
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0044 0.0275 0.1131
Schistosoma mansoni carbonic anhydrase-related 0.0168 0.1192 0.49
Schistosoma mansoni sodium/chloride dependent transporter 0.0044 0.0275 0.1131
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0044 0.0275 1
Onchocerca volvulus 0.0044 0.0275 0.1447
Loa Loa (eye worm) hypothetical protein 0.0168 0.1192 0.2034
Onchocerca volvulus 0.0044 0.0275 0.1447
Brugia malayi hypothetical protein 0.0011 0.0026 0.0039
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0044 0.0275 0.1131
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Loa Loa (eye worm) hypothetical protein 0.0261 0.1885 0.3218
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0044 0.0275 0.1131
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0044 0.0275 0.1131
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.0466
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0156 0.1107 0.1159
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.0466
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0115 0.0112
Onchocerca volvulus 0.0044 0.0275 0.1447
Plasmodium vivax amine transporter, putative 0.0044 0.0275 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0044 0.0275 0.1339
Schistosoma mansoni dep domain containing protein 0.0011 0.0026 0.0105
Echinococcus multilocularis sodium and chloride dependent glycine 0.0044 0.0275 0.1339
Toxoplasma gondii hypothetical protein 0.0168 0.1192 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.001 0.0041
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0261 0.1885 0.3218
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0238 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0026 0.0039
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0281 0.2037 0.837
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0168 0.1192 0.2034
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0044 0.0275 0.1339
Loa Loa (eye worm) hypothetical protein 0.0168 0.1192 0.2034
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0238 0.0215
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0044 0.0275 0.1131
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0795 0.5852 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0044 0.0275 0.0466
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0168 0.1192 0.2034
Schistosoma mansoni sodium/chloride dependent transporter 0.0044 0.0275 0.1131
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0044 0.0275 0.1339
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.2138
Schistosoma mansoni carbonic anhydrase 0.0335 0.2433 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0281 0.2037 0.3477
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0026 0.0039
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0115 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0115 0.0191
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0115 0.046
Loa Loa (eye worm) hypothetical protein 0.0795 0.5852 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0115 0.055
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0003 0.0011
Echinococcus multilocularis sodium and chloride dependent glycine 0.0044 0.0275 0.1339
Treponema pallidum sodium- and chloride- dependent transporter 0.0261 0.1885 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0168 0.1192 0.2034
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0492 0.2024
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0044 0.0275 0.1339
Echinococcus granulosus sodium and chloride dependent glycine 0.0044 0.0275 0.1339
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0026 0.0105
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Echinococcus multilocularis serotonin transporter 0.0261 0.1885 0.9255
Leishmania major C-8 sterol isomerase-like protein 0.0795 0.5852 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0044 0.0275 0.1339
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0026 0.0039
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0026 0.0113
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0115 0.055
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Trypanosoma brucei C-8 sterol isomerase, putative 0.0795 0.5852 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0115 0.0191
Plasmodium falciparum amino acid transporter, putative 0.0044 0.0275 0.1489
Loa Loa (eye worm) solute carrier family 6 member 4 0.0261 0.1885 0.3218
Brugia malayi hypothetical protein 0.0044 0.0275 0.0466
Echinococcus granulosus cpg binding protein 0.0037 0.0218 0.106
Plasmodium falciparum carbonic anhydrase 0.0168 0.1192 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0044 0.0275 0.1131
Echinococcus multilocularis cpg binding protein 0.0037 0.0218 0.106
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0261 0.1885 0.7747
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0039
Brugia malayi CXXC zinc finger family protein 0.0035 0.0204 0.0343
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0026 0.0122
Echinococcus multilocularis carbonic anhydrase 0.0168 0.1192 0.5849
Entamoeba histolytica carbonic anhydrase, putative 0.0335 0.2433 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0281 0.2037 0.335
Schistosoma mansoni ap endonuclease 0.0023 0.0115 0.0471
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0025 0.0037
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0335 0.2433 1
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0026 0.0113
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.8673 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0281 0.2037 0.3477
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0115 0.0112
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.0002
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0795 0.5852 1
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0026 0.0039
Loa Loa (eye worm) hypothetical protein 0.0261 0.1885 0.3218
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.0002
Trichomonas vaginalis helicase, putative 0.0008 0.0004 0.0002
Onchocerca volvulus 0.0011 0.0026 0.0122
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.0002
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0026 0.0113
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.001 0.0035
Onchocerca volvulus Putative sulfate transporter 0.0247 0.1778 0.9432
Echinococcus granulosus carbonic anhydrase 0.0168 0.1192 0.5849
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0044 0.0275 0.1131
Leishmania major carbonic anhydrase-like protein 0.0281 0.2037 0.335
Onchocerca volvulus 0.0261 0.1885 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.001 0.0035
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0026 0.0113
Brugia malayi N-terminal motif family protein 0.0218 0.1566 0.2672
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0204 0.0343
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0003 0.0011
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0463 0.3389 0.3826
Loa Loa (eye worm) carbonic anhydrase 3 0.0281 0.2037 0.3477
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0281 0.2037 0.837
Loa Loa (eye worm) norepinephrine transporter 0.0261 0.1885 0.3218
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0044 0.0275 0.1339
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0044 0.0275 0.1339
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0275 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Schistosoma mansoni cpg binding protein 0.0037 0.0218 0.0897
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0434 0.35
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0168 0.1192 0.2034
Schistosoma mansoni hypothetical protein 0.0168 0.1192 0.49
Echinococcus multilocularis carbonic anhydrase 0.0168 0.1192 0.5849
Echinococcus granulosus carbonic anhydrase 0.0168 0.1192 0.5849
Schistosoma mansoni carbonic anhydrase-related 0.0168 0.1192 0.49
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0039
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0044 0.0275 0.1131
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Brugia malayi DIX domain containing protein 0.0011 0.0026 0.0039
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.1566 0.8302
Plasmodium vivax sulfate transporter, putative 0.0039 0.0238 0.7676
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0026 0.0113
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0281 0.2037 0.3477
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.2062 0.2276
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0004 0.0002
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.001 0.0035
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.0466
Onchocerca volvulus 0.0035 0.0204 0.1067
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.0466
Echinococcus granulosus carbonic anhydrase II 0.0281 0.2037 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0004 0.0002
Echinococcus granulosus serotonin transporter 0.0261 0.1885 0.9255
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0003 0.0011
Schistosoma mansoni sodium/chloride dependent transporter 0.0261 0.1885 0.7747
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.0238 0.1143
Loa Loa (eye worm) hypothetical protein 0.0406 0.2965 0.5064
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0281 0.2037 0.3477
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0003 0.0011
Loa Loa (eye worm) hypothetical protein 0.0168 0.1192 0.2034
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.0466
Echinococcus granulosus carbonic anhydrase 0.0168 0.1192 0.5849
Toxoplasma gondii exonuclease III APE 0.0023 0.0115 0.0763
Schistosoma mansoni dishevelled 0.0011 0.0026 0.0105
Schistosoma mansoni ap endonuclease 0.0023 0.0115 0.0471
Brugia malayi hypothetical protein 0.0011 0.0026 0.0039
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0026 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Echinococcus multilocularis carbonic anhydrase II 0.0281 0.2037 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.2138
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.0002
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0115 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0044 0.0275 0.2138
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.0002
Loa Loa (eye worm) hypothetical protein 0.0261 0.1885 0.3218
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.001 0.0035
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0003 0.0011
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0026 0.0039
Schistosoma mansoni cpg binding protein 0.0037 0.0218 0.0897
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0044 0.0275 0.1339
Schistosoma mansoni dishevelled 0.0011 0.0026 0.0105
Onchocerca volvulus 0.0247 0.1778 0.9432
Loa Loa (eye worm) hypothetical protein 0.0218 0.1566 0.2672
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0238 0.0125
Loa Loa (eye worm) serotonin transporter b 0.0261 0.1885 0.3218
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0168 0.1192 0.2034
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0238 0.0402
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0168 0.1192 0.2034
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0026 0.0113
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.0002
Echinococcus multilocularis carbonic anhydrase 0.0168 0.1192 0.5849
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.0238 0.1818
Schistosoma mansoni carbonic anhydrase 0.0168 0.1192 0.49
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0026 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.0002
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0026 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0275 0.0466
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0044 0.0275 0.1131
Toxoplasma gondii hypothetical protein 0.0044 0.0275 0.2138
Mycobacterium ulcerans carbonic anhydrase 0.0335 0.2433 0.2346
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0026 0.0105
Leishmania major carbonic anhydrase family protein, putative 0.0335 0.2433 0.4041
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0026 0.0113
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0281 0.2037 0.3477

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 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
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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