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

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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