Detailed information for compound 1421437

Basic information

Technical information
  • TDR Targets ID: 1421437
  • Name: N-(3-cyanothiophen-2-yl)-2-(4-methylpyrimidin -2-yl)sulfanylacetamide
  • MW: 290.364 | Formula: C12H10N4OS2
  • H donors: 1 H acceptors: 4 LogP: 2.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccsc1NC(=O)CSc1nccc(n1)C
  • InChi: 1S/C12H10N4OS2/c1-8-2-4-14-12(15-8)19-7-10(17)16-11-9(6-13)3-5-18-11/h2-5H,7H2,1H3,(H,16,17)
  • InChiKey: QNIHSSNCRDRMIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-cyano-2-thienyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide
  • N-(3-cyano-2-thienyl)-2-[(4-methyl-2-pyrimidinyl)thio]acetamide
  • N-(3-cyano-2-thienyl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide
  • N-(3-cyanothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide
  • ZINC06731605
  • IVK/0010333

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.5585 0.6309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8709 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0374 0.0241
Loa Loa (eye worm) hypothetical protein 0.0026 0.0556 0.0638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0374 0.4987
Giardia lamblia GTOR 0.0022 0.0374 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0749 0.0596
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0374 0.0241
Loa Loa (eye worm) hypothetical protein 0.0029 0.0708 0.0813
Schistosoma mansoni tar DNA-binding protein 0.0076 0.289 0.4952
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.5585 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0374 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.289 0.3318
Echinococcus granulosus serine protein kinase ATM 0.003 0.0749 0.0944
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0708 0.0867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0556 0.4849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0374 0.4987
Echinococcus granulosus tar DNA binding protein 0.0076 0.289 0.4952
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0749 0.0944
Loa Loa (eye worm) hypothetical protein 0.006 0.214 0.2457
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.289 0.3125
Schistosoma mansoni tar DNA-binding protein 0.0076 0.289 0.4952
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0708 0.0867
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.5585 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Loa Loa (eye worm) RNA binding protein 0.0076 0.289 0.3318
Brugia malayi Pre-SET motif family protein 0.0029 0.0708 0.0547
Toxoplasma gondii FATC domain-containing protein 0.003 0.0749 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0374 0.0241
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.5585 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0374 0.4987
Brugia malayi Pre-SET motif family protein 0.0203 0.8709 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0374 0.0152
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.214 0.2238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni hypothetical protein 0.0041 0.1263 0.1906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0245 0.0281
Loa Loa (eye worm) TAR-binding protein 0.0076 0.289 0.3318
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.214 0.2238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.5585 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0374 0.0152
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0374 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0076 0.289 0.4952
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.5585 1
Brugia malayi RNA binding protein 0.0076 0.289 0.3125
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0376 0.0052
Loa Loa (eye worm) hypothetical protein 0.0041 0.1263 0.145
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0376 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0749 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0374 0.4987
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0708 0.0867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0749 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.5585 0.6413
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0374 0.0241
Entamoeba histolytica hypothetical protein 0.003 0.0749 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0708 0.0867
Echinococcus multilocularis tar DNA binding protein 0.0076 0.289 0.4952
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0374 0.4987
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0374 0.0241
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0708 0.9451
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.5585 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.0281
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.214 0.2457
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0374 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.5585 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0749 0.0749
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0708 0.0867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0708 0.0867
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0659 0.0775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0076 0.289 0.4952
Brugia malayi TAR-binding protein 0.0076 0.289 0.3125
Plasmodium vivax SET domain protein, putative 0.0029 0.0708 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0749 0.0944
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0374 0.0429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0708 0.0867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0374 0.0374
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1263 0.1202
Schistosoma mansoni tar DNA-binding protein 0.0076 0.289 0.4952

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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