Detailed information for compound 1223429

Basic information

Technical information
  • TDR Targets ID: 1223429
  • Name: Maybridge3_003795
  • MW: 329.822 | Formula: C13H12ClNO3S2
  • H donors: 1 H acceptors: 3 LogP: 4.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)N=[S+](c1ccccc1)(C)[O-]
  • InChi: 1S/C13H12ClNO3S2/c1-19(16,12-5-3-2-4-6-12)15-20(17,18)13-9-7-11(14)8-10-13/h2-10H,1H3
  • InChiKey: ORRZLBKMHCBGJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC04349090
  • KM 02840
  • 4-chloro-N-[methyl(oxo)phenyl-lambda~6~-sulfanylidene]benzenesulfonamide
  • MLS000850562
  • SMR000456580
  • ZINC04349094
  • SR-01000633449-1
  • IDI1_015182

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0662 0.0464
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0349 0.0145
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0662 0.0464
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0931 0.0739
Onchocerca volvulus 0.0084 0.2904 1
Leishmania major monoglyceride lipase, putative 0.0077 0.2595 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0231 1 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0028 0.0207 0.0798
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0207 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0662 0.0464
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0028 0.0207 0.0798
Brugia malayi PHD-finger family protein 0.0031 0.0349 0.0145
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.2904 0.2754
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0077 0.2595 0.5
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0931 0.0739
Loa Loa (eye worm) hypothetical protein 0.0231 1 1
Mycobacterium ulcerans amidase 0.0028 0.0207 0.0798
Trypanosoma cruzi monoglyceride lipase, putative 0.0077 0.2595 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.2904 0.2754
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0028 0.0207 0.0798
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0028 0.0207 0.0798
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0207 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0077 0.2595 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.141 0.1229
Leishmania major hypothetical protein, conserved 0.0028 0.0207 0.0798
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.2595 0.5
Mycobacterium ulcerans peptide amidase, GatA 0.0028 0.0207 0.0798
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0077 0.2595 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0077 0.2595 1
Echinococcus multilocularis geminin 0.0205 0.8731 0.8704
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.3729 0.3596
Brugia malayi jmjC domain containing protein 0.0037 0.0662 0.0464
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0349 1
Mycobacterium ulcerans hypothetical protein 0.0077 0.2595 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0028 0.0207 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0077 0.2595 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.8731 0.8704
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0662 0.0464
Plasmodium falciparum phd finger protein, putative 0.0031 0.0349 0.1346
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0028 0.0207 0.0798
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.2904 0.2754
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0077 0.2595 1
Mycobacterium ulcerans amidase 0.0028 0.0207 0.0798
Trypanosoma brucei monoglyceride lipase, putative 0.0077 0.2595 1
Brugia malayi Bromodomain containing protein 0.0031 0.0349 0.0145
Schistosoma mansoni jumonji domain containing protein 0.008 0.2729 0.2575
Plasmodium falciparum lysophospholipase, putative 0.0077 0.2595 1
Plasmodium falciparum lysophospholipase, putative 0.0077 0.2595 1
Plasmodium falciparum lysophospholipase, putative 0.0077 0.2595 1
Plasmodium vivax PST-A protein 0.0077 0.2595 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0077 0.2595 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.2904 0.2754
Schistosoma mansoni amidase 0.0231 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0349 0.0145
Schistosoma mansoni fatty-acid amide hydrolase 0.0231 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.2595 0.5
Echinococcus multilocularis peregrin 0.0031 0.0349 0.0145
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0028 0.0207 0.0798
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.3729 0.3596
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0077 0.2595 0.5
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0028 0.0207 0.0798
Mycobacterium ulcerans amidase 0.0028 0.0207 0.0798
Mycobacterium ulcerans amidase 0.0028 0.0207 0.0798
Schistosoma mansoni hypothetical protein 0.0205 0.8731 0.8704
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0028 0.0207 0.0798
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0349 0.1346
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0077 0.2595 1
Plasmodium falciparum esterase, putative 0.0077 0.2595 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0028 0.0207 0.0798
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0207 0.0798
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0349 0.0145
Echinococcus granulosus fatty acid amide hydrolase 1 0.0231 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0349 0.0145
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0349 0.0145
Loa Loa (eye worm) hypothetical protein 0.0084 0.2904 0.2754
Schistosoma mansoni hypothetical protein 0.0031 0.0349 0.0145
Mycobacterium tuberculosis Possible lysophospholipase 0.0077 0.2595 1
Echinococcus granulosus peregrin 0.0031 0.0349 0.0145
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0077 0.2595 0.5
Brugia malayi jmjC domain containing protein 0.0101 0.3729 0.3596
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0349 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.1931 0.176
Mycobacterium ulcerans amidase 0.0028 0.0207 0.0798
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0662 0.0464
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0231 1 1
Mycobacterium ulcerans lysophospholipase 0.0077 0.2595 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0028 0.0207 0.0798
Giardia lamblia PHD finger protein 15 0.0031 0.0349 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0231 1 1
Echinococcus granulosus geminin 0.0205 0.8731 0.8704

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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