Detailed information for compound 223543

Basic information

Technical information
  • TDR Targets ID: 223543
  • Name: 4-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl )-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5- yl)benzenesulfonamide
  • MW: 388.509 | Formula: C12H12N4O3S4
  • H donors: 2 H acceptors: 3 LogP: 2.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1NC(=O)C(S1)NS(=O)(=O)c1ccc(cc1)C1N=NC(S1)C
  • InChi: 1S/C12H12N4O3S4/c1-6-14-15-10(21-6)7-2-4-8(5-3-7)23(18,19)16-11-9(17)13-12(20)22-11/h2-6,10-11,16H,1H3,(H,13,17,20)
  • InChiKey: ZXILJSFDVXHSSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-N-(4-oxo-2-thioxo-thiazolidin-5-yl)benzenesulfonamide
  • 4-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-N-(4-oxo-2-thioxo-5-thiazolidinyl)benzenesulfonamide
  • N-(4-keto-2-thioxo-thiazolidin-5-yl)-4-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzenesulfonamide
  • AIDS191045
  • 4-(5-Methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)-N-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)benzenesulfonamide
  • AIDS-191045

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
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
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0111 0.2751 0.1377
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2476
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0111 0.2751 0.1377
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2302
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0299 0.9029 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0111 0.2751 0.1377
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0111 0.2751 0.2302
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0081 0.1748 0.0958
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0299 0.9029 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0081 0.1748 0.1072
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.1748 0.0958
Leishmania major geranylgeranyltransferase, putative 0.0081 0.1748 0.1072
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0299 0.9029 0.8936
Giardia lamblia Prenyltransferase 0.0299 0.9029 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2057
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0115 0.2869 0.1539
Plasmodium falciparum geranylgeranyltransferase, putative 0.0081 0.1748 0.1072
Trypanosoma cruzi protein farnesyltransferase, putative 0.0299 0.9029 0.8936
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2057
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0299 0.9029 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0299 0.9029 1
Brugia malayi replication factor A 73 kDa subunit 0.0115 0.2869 0.1539
Trypanosoma brucei RNA helicase, putative 0.0125 0.3213 0.2563
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0111 0.2751 0.2057
Giardia lamblia Rab geranylgeranyltransferase 0.0111 0.2751 0.1377
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0299 0.9029 1
Toxoplasma gondii hypothetical protein 0.0111 0.2751 0.3047
Onchocerca volvulus 0.0111 0.2751 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0111 0.2751 0.1377
Trypanosoma cruzi lanosterol synthase, putative 0.0328 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.2751 0.2057
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0081 0.1748 0.0958
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0081 0.1748 0.1936
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0111 0.2751 0.2302
Trypanosoma brucei hypothetical protein, conserved 0.0111 0.2751 0.2057
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0111 0.2751 0.2476
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0081 0.1748 0.1274
Trypanosoma cruzi protein farnesyltransferase, putative 0.0299 0.9029 0.8936
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0299 0.9029 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0111 0.2751 0.1377
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0081 0.1748 0.1072
Trypanosoma brucei lanosterol synthase 0.0328 1 1
Leishmania major lanosterol synthase, putative 0.0247 0.7289 0.7867
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.2751 0.2057
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0055 0.0874 0.0968
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2302
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0111 0.2751 0.2302
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0299 0.9029 1
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0081 0.1748 0.1274
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2302
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0299 0.9029 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0111 0.2751 0.2057
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0115 0.2869 0.1539
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0299 0.9029 1
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0111 0.2751 0.2302
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0081 0.1748 0.1072
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0111 0.2751 0.1377
Giardia lamblia Rab geranylgeranyltransferase 0.0111 0.2751 0.1377
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0109 0.268 0.2214
Trypanosoma cruzi lanosterol synthase, putative 0.0328 1 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0111 0.2751 0.1377
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0299 0.9029 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0111 0.2751 0.1377
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0111 0.2751 0.1377
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0111 0.2751 0.2057
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0111 0.2751 0.2302
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0115 0.2869 0.2446
Schistosoma mansoni hypothetical protein 0.0125 0.3213 0.2012
Leishmania major farnesyltransferase beta subunit 0.0299 0.9029 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0111 0.2751 0.1377
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0115 0.2869 0.2446
Loa Loa (eye worm) hypothetical protein 0.0111 0.2751 0.1377
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0081 0.1748 0.1072
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0081 0.1748 0.1936
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.1748 0.0958
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0299 0.9029 1
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0081 0.1748 0.1072
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0218 0.6319 0.6676
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2057
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0111 0.2751 0.1377
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0299 0.9029 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0299 0.9029 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0299 0.9029 1
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0115 0.2869 0.1539
Plasmodium vivax geranylgeranyltransferase, putative 0.0081 0.1748 0.1072
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0111 0.2751 0.2302
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0111 0.2751 0.1377
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0299 0.9029 1
Schistosoma mansoni replication factor A 1 rfa1 0.0115 0.2869 0.1539

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.62 Inhibitory activity of the compound against 3' processing by HIV integrase ChEMBL. 14711310
IC50 (binding) = 4.72 Inhibitory activity of the compound against DNA strand transfer by HIV integrase ChEMBL. 14711310
Log IC50 (binding) = 4.62 Inhibitory activity of the compound against 3' processing by HIV integrase ChEMBL. 14711310
Log IC50 (binding) = 4.72 Inhibitory activity of the compound against DNA strand transfer by HIV integrase ChEMBL. 14711310

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.