Detailed information for compound 1332216

Basic information

Technical information
  • TDR Targets ID: 1332216
  • Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N -(2-chloro-5-morpholin-4-ylsulfonylphenyl)ace tamide
  • MW: 449.956 | Formula: C14H16ClN5O4S3
  • H donors: 2 H acceptors: 5 LogP: 1.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)CSc1nnc(s1)N
  • InChi: 1S/C14H16ClN5O4S3/c15-10-2-1-9(27(22,23)20-3-5-24-6-4-20)7-11(10)17-12(21)8-25-14-19-18-13(16)26-14/h1-2,7H,3-6,8H2,(H2,16,18)(H,17,21)
  • InChiKey: GGCCLTQQEYHOSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide
  • 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-chloro-5-morpholinosulfonylphenyl)acetamide
  • 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide
  • 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonyl-phenyl)ethanamide
  • MLS000773922
  • SMR000364747
  • T0509-0173

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0398 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 0.3111 0.3067
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 0.3111 0.3111
Loa Loa (eye worm) transcription factor SMAD2 0.0623 1 1
Echinococcus multilocularis GPCR, family 2 0.0066 0.0762 0.1427
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0762 0.1427
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0398 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.2951 0.957
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0762 0.1427
Echinococcus granulosus GPCR family 2 0.0066 0.0762 0.1427
Schistosoma mansoni hypothetical protein 0.0205 0.3066 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.2951 0.957
Brugia malayi MH1 domain containing protein 0.0023 0.0063 0.0063
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0398 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0762 0.0703
Schistosoma mansoni tar DNA-binding protein 0.0198 0.2951 0.957
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2936 0.2891
Loa Loa (eye worm) hypothetical protein 0.0187 0.2772 0.2726
Schistosoma mansoni hypothetical protein 0.0142 0.2023 0.6121
Brugia malayi RNA binding protein 0.0198 0.2951 0.2951
Loa Loa (eye worm) RNA binding protein 0.0198 0.2951 0.2906
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0398 0.5
Brugia malayi MH2 domain containing protein 0.0042 0.0378 0.0378
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0398 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0179 0.0116
Echinococcus granulosus tar DNA binding protein 0.0198 0.2951 0.957
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2936 0.9514
Trypanosoma brucei glucosidase, putative 0.0044 0.0398 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2936 0.9514
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0398 0.0075
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0398 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0623 1 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.2772 1
Brugia malayi MH1 domain containing protein 0.0023 0.0063 0.0063
Echinococcus granulosus geminin 0.0205 0.3066 1
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0762 0.0762
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0398 0.0337
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0198 0.2951 0.2906
Loa Loa (eye worm) Smad1 0.0042 0.0378 0.0316
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0762 0.1427
Brugia malayi MH1 domain containing protein 0.0042 0.0378 0.0378
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0179 0.5
Loa Loa (eye worm) TAR-binding protein 0.0198 0.2951 0.2906
Schistosoma mansoni alpha-glucosidase 0.0169 0.2481 0.7825
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0378 0.0316
Brugia malayi MH2 domain containing protein 0.0042 0.0378 0.0378
Brugia malayi Smad1 0.0042 0.0378 0.0378
Echinococcus multilocularis tar DNA binding protein 0.0198 0.2951 0.957
Loa Loa (eye worm) hypothetical protein 0.0207 0.3111 0.3067
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0398 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0378 0.0316
Schistosoma mansoni hypothetical protein 0.0205 0.3066 1
Schistosoma mansoni hypothetical protein 0.0066 0.0762 0.1427
Echinococcus multilocularis geminin 0.0205 0.3066 1
Brugia malayi RNA recognition motif domain containing protein 0.0198 0.2951 0.2951
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0762 0.0762
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0398 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0398 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0398 0.5
Brugia malayi TAR-binding protein 0.0198 0.2951 0.2951
Loa Loa (eye worm) hypothetical protein 0.0142 0.2023 0.1972
Schistosoma mansoni alpha-glucosidase 0.0169 0.2481 0.7825
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0398 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0398 0.0398
Schistosoma mansoni hypothetical protein 0.0066 0.0762 0.1427
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0398 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0179 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0398 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2936 0.9514
Schistosoma mansoni tar DNA-binding protein 0.0198 0.2951 0.957
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0398 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0398 0.0075
Schistosoma mansoni hypothetical protein 0.0066 0.0762 0.1427
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0207 0.3111 0.3111
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0179 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0762 0.0703
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0762 0.1427
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0398 0.5
Brugia malayi hypothetical protein 0.003 0.0179 0.0179
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2936 0.2936
Schistosoma mansoni tar DNA-binding protein 0.0198 0.2951 0.957
Brugia malayi N-terminal motif family protein 0.0187 0.2772 0.2772
Schistosoma mansoni hypothetical protein 0.0066 0.0762 0.1427
Brugia malayi MH1 domain containing protein 0.0042 0.0378 0.0378
Schistosoma mansoni alpha glucosidase 0.0044 0.0398 0.0075
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.2023 0.2023

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 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 (functional) 1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.2105 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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