Detailed information for compound 553974

Basic information

Technical information
  • TDR Targets ID: 553974
  • Name: 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(eth yl)amino]-5-carboxy-2,4,6-triiodo-anilino]-3- oxo-propyl]sulfonylpropanoylamino]-2,4,6-trii odo-benzoic acid
  • MW: 1374.03 | Formula: C28H28I6N4O10S
  • H donors: 4 H acceptors: 10 LogP: 3.62 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(c1c(I)c(NC(=O)CCS(=O)(=O)CCC(=O)Nc2c(I)c(N(C(=O)C)CC)c(c(c2I)C(=O)O)I)c(c(c1I)C(=O)O)I)C(=O)C
  • InChi: 1S/C28H28I6N4O10S/c1-5-37(11(3)39)25-19(31)15(27(43)44)17(29)23(21(25)33)35-13(41)7-9-49(47,48)10-8-14(42)36-24-18(30)16(28(45)46)20(32)26(22(24)34)38(6-2)12(4)40/h5-10H2,1-4H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46)
  • InChiKey: OZKKEKFKXIOSIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[acetyl(ethyl)amino]-5-[[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonyl-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid
  • 3-[3-[3-[[3-carboxy-5-[ethanoyl(ethyl)amino]-2,4,6-triiodo-phenyl]amino]-3-oxo-propyl]sulfonylpropanoylamino]-5-[ethanoyl(ethyl)amino]-2,4,6-triiodo-benzoic acid
  • 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodo-anilino]-3-keto-propyl]sulfonylpropanoylamino]-2,4,6-triiodo-benzoic acid
  • 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoic acid
  • iosulamide
  • 3-(acetyl-ethylamino)-5-[3-[3-[[3-(acetyl-ethylamino)-5-carboxy-2,4,6-triiodophenyl]amino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoic acid
  • 3-(acetyl-ethyl-amino)-5-[3-[3-[[3-(acetyl-ethyl-amino)-5-carboxy-2,4,6-triiodo-phenyl]amino]-3-oxo-propyl]sulfonylpropanoylamino]-2,4,6-triiodo-benzoic acid
  • 3-(acetyl-ethylamino)-5-[[3-[3-[[3-(acetyl-ethylamino)-5-carboxy-2,4,6-triiodophenyl]amino]-3-oxopropyl]sulfonyl-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid
  • 3-(acetyl-ethyl-amino)-5-[3-[3-[[3-(acetyl-ethyl-amino)-5-carboxy-2,4,6-triiodo-phenyl]amino]-3-keto-propyl]sulfonylpropanoylamino]-2,4,6-triiodo-benzoic acid
  • 3-[3-[3-[[3-carboxy-5-(ethanoyl-ethyl-amino)-2,4,6-triiodo-phenyl]amino]-3-oxo-propyl]sulfonylpropanoylamino]-5-(ethanoyl-ethyl-amino)-2,4,6-triiodo-benzoic acid
  • EINECS 245-487-2
  • Iosulamide [USAN]
  • Iosulamido [INN-Spanish]
  • Iosulamidum [INN-Latin]

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 0.0047 0.0118 0.0137
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.1711 1
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0146 0.0146
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.033 0.4721 0.5464
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.033 0.4721 0.4721
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Brugia malayi O-methyltransferase 0.0063 0.0377 0.0377
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.1711 0.2102
Trypanosoma brucei hypothetical protein, conserved 0.0039 0 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0161 0.1979 0.1979
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0097 0.0936 1
Brugia malayi CHE-14 protein 0.0048 0.0146 0.0146
Schistosoma mansoni patched 1 0.0048 0.0146 0.017
Loa Loa (eye worm) hypothetical protein 0.0063 0.0377 0.0377
Schistosoma mansoni o-methyltransferase 0.0063 0.0377 0.0436
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0097 0.0936 0.2244
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.054 0.8139 1
Echinococcus multilocularis protein patched 0.0048 0.0146 0.0146
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.4172 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0097 0.0936 0.0936
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.1193 0.1152
Echinococcus granulosus muscleblind protein 0.0655 1 1
Mycobacterium tuberculosis Probable methyltransferase 0.0063 0.0377 0.0463
Echinococcus multilocularis expressed conserved protein 0.0106 0.1082 0.1082
Schistosoma mansoni hypothetical protein 0.0047 0.0118 0.0137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.1193 0.1193
Echinococcus multilocularis protein dispatched 1 0.0055 0.0258 0.0258
Mycobacterium ulcerans methyltransferase 0.0063 0.0377 0.0411
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Mycobacterium ulcerans O-methyltransferase 0.0603 0.9156 1
Brugia malayi acetyltransferase, GNAT family protein 0.033 0.4721 0.4721
Loa Loa (eye worm) hypothetical protein 0.0059 0.0323 0.0323
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0063 0.0377 0.5
Echinococcus granulosus expressed conserved protein 0.0106 0.1082 0.1082
Loa Loa (eye worm) O-methyltransferase 0.0063 0.0377 0.0377
Schistosoma mansoni o-methyltransferase 0.0063 0.0377 0.0436
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Echinococcus granulosus geminin 0.0571 0.864 0.864
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Onchocerca volvulus 0.0063 0.0377 1
Brugia malayi O-methyltransferase family protein 0.0063 0.0377 0.0377
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.1711 0.1868
Leishmania major hypothetical protein, conserved 0.0039 0 0.5
Brugia malayi O-methyltransferase family protein 0.0063 0.0377 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0146 0.0351
Trichomonas vaginalis bromodomain-containing protein, putative 0.0097 0.0936 0.2244
Loa Loa (eye worm) hypothetical protein 0.0113 0.1193 0.1193
Loa Loa (eye worm) hypothetical protein 0.0048 0.0146 0.0146
Giardia lamblia Fructose-bisphosphate aldolase 0.0296 0.4172 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0089 0.0805 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0118 0.0137
Schistosoma mansoni hypothetical protein 0.0571 0.864 1
Treponema pallidum fructose-bisphosphate aldolase 0.0296 0.4172 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0118 0.0137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4172 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.1193 0.1193
Echinococcus multilocularis muscleblind protein 0.0655 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0097 0.0936 1
Schistosoma mansoni o-methyltransferase 0.0063 0.0377 0.0436
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.1193 0.1193
Echinococcus multilocularis Niemann Pick C1 protein 0.0161 0.1979 0.1979
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0146 0.0146
Onchocerca volvulus 0.0063 0.0377 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0146 0.0146
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0097 0.0936 1
Loa Loa (eye worm) hypothetical protein 0.0655 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.4172 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.1221 0.1413
Echinococcus multilocularis muscleblind protein 1 0.0655 1 1
Schistosoma mansoni o-methyltransferase 0.0063 0.0377 0.0436
Echinococcus multilocularis geminin 0.0571 0.864 0.864
Brugia malayi O-methyltransferase family protein 0.0063 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0655 1 1
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0146 0.0146
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0063 0.0377 0.2202
Loa Loa (eye worm) acetyltransferase 0.033 0.4721 0.4721
Schistosoma mansoni hypothetical protein 0.0571 0.864 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.345 0.4238
Echinococcus granulosus histone acetyltransferase KAT2B 0.0321 0.457 0.457

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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