Detailed information for compound 714584

Basic information

Technical information
  • TDR Targets ID: 714584
  • Name: N-(3-fluorophenyl)-2-(6-methylthieno[3,2-e]py rimidin-4-yl)sulfanylacetamide
  • MW: 333.404 | Formula: C15H12FN3OS2
  • H donors: 1 H acceptors: 3 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)F)CSc1ncnc2c1cc(s2)C
  • InChi: 1S/C15H12FN3OS2/c1-9-5-12-14(17-8-18-15(12)22-9)21-7-13(20)19-11-4-2-3-10(16)6-11/h2-6,8H,7H2,1H3,(H,19,20)
  • InChiKey: HGNCPYDSCQPKSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-fluorophenyl)-2-(6-methylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-acetamide
  • N-(3-fluorophenyl)-2-[(6-methyl-4-thieno[3,2-e]pyrimidinyl)thio]acetamide
  • N-(3-fluorophenyl)-2-[(6-methylthieno[3,2-e]pyrimidin-4-yl)thio]acetamide
  • N-(3-fluorophenyl)-2-(6-methylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-ethanamide
  • ZINC04488361
  • BAS 12344288
  • T5792013
  • N-(3-Fluoro-phenyl)-2-(6-methyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide

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
Giardia lamblia Cathepsin B precursor 0.0247 0.3186 1
Trypanosoma cruzi cysteine peptidase, putative 0.0082 0.0613 0.0289
Loa Loa (eye worm) hypothetical protein 0.0184 0.2207 0.2032
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0082 0.0613 0.0303
Brugia malayi Cathepsin L-like precursor 0.0266 0.3485 0.3577
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0613 0.0303
Trypanosoma cruzi cysteine proteinase, putative 0.0146 0.1611 0.1322
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0266 0.3485 0.3417
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0266 0.3485 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0247 0.3186 0.2951
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0247 0.3186 0.3261
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0266 0.3485 0.326
Loa Loa (eye worm) hypothetical protein 0.0165 0.1911 0.1711
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0146 0.1611 0.4054
Giardia lamblia Cathepsin B precursor 0.0247 0.3186 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0146 0.1611 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0266 0.3485 1
Echinococcus multilocularis cathepsin b 0.0656 0.9557 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0184 0.2207 0.5946
Brugia malayi Cathepsin L-like precursor 0.0266 0.3485 0.3577
Entamoeba histolytica cysteine protease, putative 0.0266 0.3485 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.008 0.0575 0.0767
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Loa Loa (eye worm) cathepsin B 0.0247 0.3186 0.3093
Brugia malayi cathepsin F-like cysteine proteinase 0.0064 0.0334 0.0244
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0247 0.3186 0.277
Plasmodium vivax vivapain-3 0.0146 0.1611 0.4054
Plasmodium vivax vivapain-2 0.0266 0.3485 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0247 0.3186 0.277
Trypanosoma cruzi cysteine protease, putative 0.0146 0.1611 0.1322
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Echinococcus multilocularis cysteine protease 0.0266 0.3485 0.3417
Plasmodium falciparum cysteine proteinase falcipain 3 0.0266 0.3485 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Schistosoma mansoni cathepsin s 0.0082 0.0613 0.0539
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Leishmania major cathepsin L-like protease 0.0266 0.3485 0.3087
Onchocerca volvulus 0.0266 0.3485 1
Onchocerca volvulus 0.0266 0.3485 1
Toxoplasma gondii cathepsin B 0.0247 0.3186 0.9052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0146 0.1611 0.1099
Brugia malayi cathepsin Z-like cysteine proteinase 0.0064 0.0334 0.0244
Giardia lamblia Cathepsin B precursor 0.0247 0.3186 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0656 0.9557 0.9541
Schistosoma mansoni cathepsin C 0.0064 0.0334 0.0244
Echinococcus granulosus cathepsin l cysteine peptidase 0.0266 0.3485 0.3417
Entamoeba histolytica cysteine proteinase, putative 0.0184 0.2207 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.0334 0.0244
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0603 0.8723 0.8678
Toxoplasma gondii cathepsin CPL 0.0266 0.3485 1
Leishmania major cathepsin L-like protease 0.0685 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1611 0.1595
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.3485 0.3417
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.008 0.0575 0.025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1611 0.4054
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.008 0.0575 0.025
Onchocerca volvulus 0.0266 0.3485 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0146 0.1611 0.4054
Echinococcus multilocularis cathepsin L 0.0146 0.1611 0.1385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0146 0.1611 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0685 1 1
Brugia malayi hypothetical protein 0.0165 0.1911 0.1913
Onchocerca volvulus Cathepsin F homolog 0.0266 0.3485 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0064 0.0334 0.0244
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0064 0.0334 0.0244
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0184 0.2207 0.5946
Onchocerca volvulus Cathepsin L homolog 0.0266 0.3485 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0146 0.1611 0.1322
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Echinococcus multilocularis cysteine protease 0.0266 0.3485 0.3417
Onchocerca volvulus 0.0184 0.2207 0.6334
Brugia malayi Cathepsin L-like precursor 0.0266 0.3485 0.3577
Onchocerca volvulus 0.0266 0.3485 1
Echinococcus multilocularis cathepsin b 0.0656 0.9557 1
Brugia malayi Cathepsin L-like precursor 0.0266 0.3485 0.3577
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0266 0.3485 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1611 0.1595
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Plasmodium vivax vivapain-1 0.0146 0.1611 0.4054
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Loa Loa (eye worm) fibroinase 0.0266 0.3485 0.3417
Entamoeba histolytica cysteine proteinase, putative 0.0266 0.3485 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0656 0.9557 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Schistosoma mansoni cathepsin F (C01 family) 0.0266 0.3485 0.3577
Echinococcus multilocularis cathepsin L cysteine protease 0.0266 0.3485 0.3417
Plasmodium vivax unspecified product 0.0082 0.0613 0.0886
Loa Loa (eye worm) hypothetical protein 0.0656 0.9557 1
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Loa Loa (eye worm) hypothetical protein 0.0082 0.0613 0.0303
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.0334 0.0244
Brugia malayi cathepsin Z-like cysteine proteinase 0.0064 0.0334 0.0244
Leishmania major cathepsin L-like protease 0.0266 0.3485 0.3087
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Plasmodium vivax unspecified product 0.0146 0.1611 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Brugia malayi cathepsin L precursor 0.0064 0.0334 0.0244
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0266 0.3485 0.3417
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0266 0.3485 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.008 0.0575 0.0499
Brugia malayi Cathepsin L-like precursor 0.0184 0.2207 0.2226
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0656 0.9557 1
Trypanosoma cruzi cysteine proteinase, putative 0.0146 0.1611 0.1322
Brugia malayi Cathepsin L-like precursor 0.0266 0.3485 0.3577
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.008 0.0575 0.0262
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0656 0.9557 1
Onchocerca volvulus Cathepsin L homolog 0.0064 0.0334 0.0958
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1611 0.1595
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0656 0.9557 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0082 0.0613 0.0539
Loa Loa (eye worm) ctsf protein 0.0266 0.3485 0.3417
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0266 0.3485 0.3417
Trypanosoma cruzi cysteine peptidase, putative 0.0146 0.1611 0.1322
Trypanosoma cruzi cysteine peptidase, putative 0.0685 1 1
Brugia malayi Cathepsin L-like precursor 0.0082 0.0613 0.0539
Plasmodium vivax vivapain-2 0.0266 0.3485 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Entamoeba histolytica cysteine proteinase 2 0.0146 0.1611 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0146 0.1611 0.1099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Loa Loa (eye worm) cysteine protease 0.0266 0.3485 0.3417
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Echinococcus granulosus cathepsin b 0.0656 0.9557 1
Schistosoma mansoni cathepsin F (C01 family) 0.0184 0.2207 0.2226
Brugia malayi hypoxia-induced factor 1 0.0153 0.1712 0.1702
Schistosoma mansoni cathepsin F (C01 family) 0.0266 0.3485 0.3577
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1611 0.4054
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.008 0.0575 0.0262
Echinococcus granulosus cathepsin L 0.0146 0.1611 0.1385
Echinococcus granulosus cathepsin L cysteine proteinase 0.0266 0.3485 0.3417
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.008 0.0575 0.0262
Leishmania major cathepsin L-like protease 0.0266 0.3485 0.3087
Entamoeba histolytica cysteine proteinase, putative 0.0266 0.3485 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Schistosoma mansoni cathepsin S (C01 family) 0.0064 0.0334 0.0244
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Echinococcus granulosus cathepsin l1 0.0184 0.2207 0.2032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Echinococcus granulosus cathepsin l1 0.0266 0.3485 0.3417
Brugia malayi Papain family cysteine protease containing protein 0.0266 0.3485 0.3577
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Brugia malayi fibroinase precursor 0.0064 0.0334 0.0244
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.008 0.0575 0.0499
Trypanosoma cruzi cysteine peptidase, putative 0.0685 1 1
Leishmania major cathepsin L-like protease 0.0685 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0064 0.0334 0.0244
Echinococcus multilocularis cathepsin L cysteine protease 0.0266 0.3485 0.3417
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0511 0.7299 0.7552
Echinococcus granulosus cathepsin L cysteine protease 0.0146 0.1611 0.1385
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.0334 0.0244
Echinococcus granulosus cysteine protease 0.0146 0.1611 0.1385
Loa Loa (eye worm) hypothetical protein 0.0082 0.0613 0.0303
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0247 0.3186 0.9052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.3485 1
Echinococcus granulosus tm gpcr rhodopsin 0.0511 0.7299 0.7552
Leishmania major cathepsin L-like protease 0.0266 0.3485 0.3087
Brugia malayi Cathepsin L-like cysteine proteinase 0.0184 0.2207 0.2226
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Brugia malayi cathepsin L-like precursor 0.0184 0.2207 0.2226
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.008 0.0575 0.5
Loa Loa (eye worm) hypothetical protein 0.0184 0.2207 0.2032
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0064 0.0334 0.0244
Onchocerca volvulus 0.0266 0.3485 1
Trypanosoma cruzi cruzipain precursor, putative 0.0685 1 1
Echinococcus granulosus cathepsin b 0.0656 0.9557 1
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1611 0.4054
Leishmania major cysteine peptidase A (CPA) 0.0266 0.3485 0.3087
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1611 0.4054
Brugia malayi Cathepsin L-like precursor 0.0266 0.3485 0.3577
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0266 0.3485 0.3417
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Brugia malayi Cathepsin L-like precursor 0.0184 0.2207 0.2226
Brugia malayi Papain family cysteine protease containing protein 0.0146 0.1611 0.1595
Trypanosoma cruzi cruzipain precursor, putative 0.0082 0.0613 0.0289
Brugia malayi Papain family cysteine protease containing protein 0.0146 0.1611 0.1595
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0656 0.9557 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0064 0.0334 0.0244
Loa Loa (eye worm) hypothetical protein 0.0184 0.2207 0.2032
Onchocerca volvulus Cathepsin L homolog 0.0266 0.3485 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.0334 0.0244
Leishmania major cathepsin L-like protease 0.0266 0.3485 0.3087
Onchocerca volvulus 0.0266 0.3485 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0082 0.0613 0.0539
Schistosoma mansoni cathepsin B (C01 family) 0.0064 0.0334 0.0244
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.3485 1
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.008 0.0575 0.5
Entamoeba histolytica cysteine protease, putative 0.0146 0.1611 0.4054
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.008 0.0575 0.0767
Onchocerca volvulus 0.0064 0.0334 0.0958
Brugia malayi Papain family cysteine protease containing protein 0.0064 0.0334 0.0244
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0064 0.0334 0.0244
Brugia malayi Papain family cysteine protease containing protein 0.0064 0.0334 0.0244
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0685 1 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0064 0.0334 0.0244
Loa Loa (eye worm) hypoxia-induced factor 1 0.0153 0.1712 0.1494
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.0334 0.0244
Trypanosoma cruzi major cysteine proteinase, putative 0.0482 0.6849 0.674
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.008 0.0575 0.5
Onchocerca volvulus 0.0266 0.3485 1

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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