Detailed information for compound 423284

Basic information

Technical information
  • TDR Targets ID: 423284
  • Name: 2-[(4S)-5-(4-acetylpiperazin-1-yl)-5-oxo-4-[[ 3-(trifluoromethyl)phenyl]sulfonylamino]penty l]guanidine
  • MW: 492.516 | Formula: C19H27F3N6O4S
  • H donors: 3 H acceptors: 4 LogP: 0.15 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NCCC[C@@H](C(=O)N1CCN(CC1)C(=O)C)NS(=O)(=O)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C19H27F3N6O4S/c1-13(29)27-8-10-28(11-9-27)17(30)16(6-3-7-25-18(23)24)26-33(31,32)15-5-2-4-14(12-15)19(20,21)22/h2,4-5,12,16,26H,3,6-11H2,1H3,(H4,23,24,25)/t16-/m0/s1
  • InChiKey: NTFFXRJUYAYHCL-INIZCTEOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4S)-5-(4-acetyl-1-piperazinyl)-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
  • 2-[(4S)-5-(4-ethanoylpiperazin-1-yl)-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
  • 2-[(4S)-5-(4-acetylpiperazino)-5-keto-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine
  • 2-[(4S)-5-(4-acetylpiperazin-1-yl)-5-keto-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0154 0.156 0.312
Plasmodium vivax unspecified product 0.0083 0.0666 0.1332
Entamoeba histolytica cysteine proteinase, putative 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Plasmodium falciparum serine repeat antigen 9 0.0083 0.0666 0.1332
Giardia lamblia Cathepsin B precursor 0.0083 0.0666 0.5334
Loa Loa (eye worm) hypothetical protein 0.0233 0.2551 0.5101
Schistosoma mansoni cathepsin F (C01 family) 0.0429 0.5001 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0083 0.0666 0.1332
Onchocerca volvulus 0.0429 0.5001 1
Entamoeba histolytica cysteine protease, putative 0.0083 0.0666 0.1178
Trypanosoma cruzi cysteine peptidase, putative 0.0223 0.2424 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0666 0.1332
Toxoplasma gondii cathepsin B 0.0129 0.1249 0.2498
Onchocerca volvulus 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Plasmodium falciparum serine repeat antigen 8 0.0083 0.0666 0.1332
Onchocerca volvulus Cathepsin F homolog 0.0429 0.5001 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0429 0.5001 0.5001
Plasmodium vivax vivapain-2 0.0429 0.5001 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0223 0.2424 0.313
Onchocerca volvulus 0.0204 0.2179 0.4358
Entamoeba histolytica cysteine protease, putative 0.0083 0.0666 0.1178
Plasmodium vivax vivapain-3 0.0223 0.2424 0.4846
Entamoeba histolytica cysteine protease, putative 0.0083 0.0666 0.1178
Echinococcus multilocularis cathepsin L cysteine protease 0.0429 0.5001 0.5001
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0129 0.1249 0.2498
Schistosoma mansoni cathepsin F (C01 family) 0.0289 0.3244 0.6486
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0083 0.0666 0.1332
Trypanosoma cruzi cysteine peptidase, putative 0.014 0.1384 0.1657
Trypanosoma cruzi cysteine peptidase, putative 0.0429 0.5001 1
Schistosoma mansoni cathepsin B (C01 family) 0.0083 0.0666 0.1332
Trypanosoma cruzi cruzipain precursor, putative 0.014 0.1384 0.1657
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0223 0.2424 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.156 0.312
Entamoeba histolytica cysteine protease, putative 0.0083 0.0666 0.1178
Giardia lamblia Cathepsin L precursor 0.0083 0.0666 0.5334
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Schistosoma mansoni cathepsin s 0.014 0.1384 0.2768
Plasmodium vivax vivapain-1 0.0223 0.2424 0.4846
Echinococcus granulosus cathepsin l1 0.0429 0.5001 1
Giardia lamblia Cysteine protease 0.0083 0.0666 0.5334
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.3244 0.5946
Schistosoma mansoni hypothetical protein 0.0037 0.0087 0.0175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Plasmodium falciparum serine repeat antigen 5 0.0083 0.0666 0.1332
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0223 0.2424 0.4846
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.3244 0.6486
Toxoplasma gondii cathepsin CPC2 0.0083 0.0666 0.1332
Giardia lamblia Cathepsin L-like protease 0.0083 0.0666 0.5334
Giardia lamblia Cysteine protease 0.0083 0.0666 0.5334
Brugia malayi Cathepsin L-like precursor 0.0429 0.5001 1
Echinococcus granulosus cathepsin l1 0.0289 0.3244 0.6486
Giardia lamblia Cathepsin L precursor 0.0083 0.0666 0.5334
Schistosoma mansoni cathepsin F (C01 family) 0.0429 0.5001 1
Leishmania major cysteine peptidase A (CPA) 0.0429 0.5001 1
Onchocerca volvulus 0.0083 0.0666 0.1332
Plasmodium vivax vivapain-2 0.0429 0.5001 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0083 0.0666 0.1332
Trypanosoma cruzi cruzipain precursor, putative 0.0429 0.5001 1
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Entamoeba histolytica hypothetical protein 0.0083 0.0666 0.1178
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0429 0.5001 1
Giardia lamblia Cathepsin L precursor 0.0083 0.0666 0.5334
Entamoeba histolytica cysteine protease, putative 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Echinococcus multilocularis cathepsin b 0.0233 0.2551 0.2551
Plasmodium falciparum serine repeat antigen 3 0.0083 0.0666 0.1332
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0083 0.0666 0.1332
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Schistosoma mansoni cathepsin S (C01 family) 0.0083 0.0666 0.1332
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0083 0.0666 0.1332
Plasmodium falciparum cysteine proteinase falcipain 1 0.0223 0.2424 0.4846
Trypanosoma cruzi cysteine peptidase, putative 0.0429 0.5001 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0083 0.0666 0.1332
Onchocerca volvulus Cathepsin L homolog 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0078 0.0157
Entamoeba histolytica cysteine proteinase 1, putative 0.0223 0.2424 0.4755
Entamoeba histolytica cysteine proteinase, putative 0.0223 0.2424 0.4755
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1154 0.2308
Onchocerca volvulus 0.0154 0.156 0.312
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0083 0.0666 0.1332
Giardia lamblia Cathepsin B precursor 0.0129 0.1249 1
Giardia lamblia Cathepsin B precursor 0.0129 0.1249 1
Onchocerca volvulus 0.0289 0.3244 0.6486
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0429 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.014 0.1384 0.2768
Loa Loa (eye worm) papain family cysteine protease containing protein 0.014 0.1384 0.2768
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Loa Loa (eye worm) hypothetical protein 0.014 0.1384 0.2768
Toxoplasma gondii cathepsin CPL 0.0429 0.5001 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0083 0.0666 0.1332
Trypanosoma cruzi cysteine protease, putative 0.0223 0.2424 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0429 0.5001 1
Brugia malayi solute carrier family 40, member 1 0.0204 0.2179 0.4358
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Brugia malayi Cathepsin L-like precursor 0.0429 0.5001 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0849 0.1697
Plasmodium falciparum serine repeat antigen 7 0.0083 0.0666 0.1332
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0429 0.5001 1
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Echinococcus granulosus cathepsin L cysteine protease 0.0223 0.2424 0.4846
Loa Loa (eye worm) hypothetical protein 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.3244 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Echinococcus granulosus cathepsin b 0.0233 0.2551 0.5101
Entamoeba histolytica cysteine protease, putative 0.0083 0.0666 0.1178
Loa Loa (eye worm) hypothetical protein 0.0204 0.2179 0.4358
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0223 0.2424 0.4054
Giardia lamblia Hypothetical protein 0.0083 0.0666 0.5334
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0233 0.2551 0.5101
Entamoeba histolytica cysteine proteinase, putative 0.0223 0.2424 0.4755
Echinococcus granulosus cathepsin l cysteine peptidase 0.0429 0.5001 1
Brugia malayi hypothetical protein 0.0037 0.0087 0.0175
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0429 0.5001 0.5001
Loa Loa (eye worm) hypothetical protein 0.0083 0.0666 0.1332
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0083 0.0666 0.1332
Loa Loa (eye worm) hypothetical protein 0.0083 0.0666 0.1332
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0083 0.0666 0.1332
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0289 0.3244 0.5946
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1154 0.2308
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0597 0.1195
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0146 0.0292
Giardia lamblia Encystation-specific protease 0.0083 0.0666 0.5334
Giardia lamblia Cathepsin L precursor 0.0083 0.0666 0.5334
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0233 0.2551 0.4348
Giardia lamblia Cathepsin L precursor 0.0083 0.0666 0.5334
Onchocerca volvulus 0.0429 0.5001 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0083 0.0666 0.1332
Brugia malayi Cathepsin L-like precursor 0.0429 0.5001 1
Giardia lamblia Cysteine protease 0.0083 0.0666 0.5334
Plasmodium falciparum serine repeat antigen 6 0.0083 0.0666 0.1332
Giardia lamblia Cathepsin B precursor 0.0083 0.0666 0.5334
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0129 0.1249 0.1345
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0129 0.1249 0.1345
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Giardia lamblia Hypothetical protein 0.0083 0.0666 0.5334
Brugia malayi cathepsin B-like cysteine proteinase 0.0233 0.2551 0.5101
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.014 0.1384 0.2768
Echinococcus granulosus cathepsin b 0.0233 0.2551 0.5101
Giardia lamblia Cysteine protease 0.0083 0.0666 0.5334
Plasmodium vivax unspecified product 0.014 0.1384 0.2768
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0078 0.0078
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0087 0.0087
Plasmodium falciparum cysteine proteinase falcipain 3 0.0429 0.5001 1
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Brugia malayi Papain family cysteine protease containing protein 0.0083 0.0666 0.1332
Loa Loa (eye worm) ctsf protein 0.0429 0.5001 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0083 0.0666 0.1332
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0083 0.0666 0.5334
Brugia malayi Papain family cysteine protease containing protein 0.0223 0.2424 0.4846
Plasmodium falciparum serine repeat antigen 1 0.0083 0.0666 0.1332
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0083 0.0666 0.1332
Brugia malayi Cathepsin L-like precursor 0.0429 0.5001 1
Entamoeba histolytica cysteine proteinase, putative 0.0223 0.2424 0.4755
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0146 0.0146
Brugia malayi Cathepsin L-like precursor 0.0289 0.3244 0.6486
Loa Loa (eye worm) hypothetical protein 0.0429 0.5001 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0083 0.0666 0.1332
Entamoeba histolytica cysteine proteinase 2 0.0223 0.2424 0.4755
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0087 0.0175
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0078 0.0157
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0429 0.5001 1
Plasmodium falciparum serine repeat antigen 4 0.0083 0.0666 0.1332
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0083 0.0666 0.1332
Trypanosoma cruzi cysteine peptidase, putative 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Brugia malayi MH2 domain containing protein 0.0122 0.1154 0.2308
Loa Loa (eye worm) hypothetical protein 0.0083 0.0666 0.1332
Brugia malayi Papain family cysteine protease containing protein 0.0223 0.2424 0.4846
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0083 0.0666 0.1332
Echinococcus multilocularis cysteine protease 0.0429 0.5001 0.5001
Brugia malayi jmjC domain containing protein 0.0036 0.0078 0.0157
Brugia malayi Cathepsin L-like precursor 0.0429 0.5001 1
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0083 0.0666 0.1332
Brugia malayi Cathepsin L-like cysteine proteinase 0.0289 0.3244 0.6486
Entamoeba histolytica cysteine proteinase, putative 0.0223 0.2424 0.4755
Plasmodium falciparum serine repeat antigen 2 0.0083 0.0666 0.1332
Loa Loa (eye worm) hypothetical protein 0.0289 0.3244 0.6486
Echinococcus multilocularis cathepsin b 0.0233 0.2551 0.2551
Entamoeba histolytica cysteine protease, putative 0.0083 0.0666 0.1178
Schistosoma mansoni cathepsin C 0.0083 0.0666 0.1332
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0083 0.0666 0.1178
Brugia malayi Cathepsin L-like precursor 0.0429 0.5001 1
Entamoeba histolytica cysteine proteinase, putative 0.0429 0.5001 1
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Loa Loa (eye worm) hypothetical protein 0.014 0.1384 0.2768
Loa Loa (eye worm) hypothetical protein 0.0289 0.3244 0.6486
Trypanosoma cruzi cysteine peptidase, putative 0.0429 0.5001 1
Brugia malayi fibroinase precursor 0.0083 0.0666 0.1332
Onchocerca volvulus 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0083 0.0666 0.5334
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0083 0.0666 0.1332
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0083 0.0666 0.5334
Toxoplasma gondii preprocathepsin c precursor, putative 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0429 0.5001 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0223 0.2424 0.4846
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0223 0.2424 0.4846
Plasmodium vivax serine-repeat antigen (SERA) 0.0083 0.0666 0.1332
Giardia lamblia Cathepsin B precursor 0.0129 0.1249 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0266 0.0533
Echinococcus multilocularis cathepsin L 0.0223 0.2424 0.2424
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0083 0.0666 0.1178
Brugia malayi jmjC domain containing protein 0.0097 0.0849 0.1697
Loa Loa (eye worm) cysteine protease 0.0429 0.5001 1
Echinococcus multilocularis cysteine protease 0.0429 0.5001 0.5001
Toxoplasma gondii cathepsin CPC1 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0429 0.5001 1
Trypanosoma cruzi cysteine proteinase, putative 0.0223 0.2424 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0429 0.5001 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0083 0.0666 0.1332
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0078 0.0157
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0083 0.0666 0.1332
Onchocerca volvulus Cathepsin L homolog 0.0429 0.5001 1
Giardia lamblia Cathepsin B precursor 0.0083 0.0666 0.5334
Echinococcus granulosus cathepsin L 0.0223 0.2424 0.4846
Trypanosoma cruzi cysteine proteinase, putative 0.0223 0.2424 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Echinococcus granulosus cathepsin L 0.0083 0.0666 0.1332
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0429 0.5001 0.5001
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0083 0.0666 0.1332
Brugia malayi Cathepsin L-like precursor 0.014 0.1384 0.2768
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.3244 0.6424
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Plasmodium vivax unspecified product 0.0223 0.2424 0.4846
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0087 0.0175
Giardia lamblia Cathepsin B precursor 0.0083 0.0666 0.5334
Onchocerca volvulus 0.0429 0.5001 1
Loa Loa (eye worm) fibroinase 0.0429 0.5001 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0083 0.0666 0.1332
Brugia malayi cathepsin L-like precursor 0.0289 0.3244 0.6486
Brugia malayi cathepsin L-like cysteine proteinase 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0223 0.2424 0.4054
Onchocerca volvulus 0.0429 0.5001 1
Giardia lamblia Cathepsin L-like protease 0.0083 0.0666 0.5334
Brugia malayi Papain family cysteine protease containing protein 0.0083 0.0666 0.1332
Onchocerca volvulus 0.0429 0.5001 1
Giardia lamblia Cathepsin L precursor 0.0083 0.0666 0.5334
Brugia malayi cathepsin F-like cysteine proteinase 0.014 0.1384 0.2768
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0083 0.0666 0.1332
Giardia lamblia Cathepsin B precursor 0.0083 0.0666 0.5334
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0083 0.0666 0.1332
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0849 0.0849
Echinococcus granulosus cathepsin L cysteine proteinase 0.0429 0.5001 1
Brugia malayi Papain family cysteine protease containing protein 0.0083 0.0666 0.1332
Echinococcus granulosus cysteine protease 0.0223 0.2424 0.4846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Loa Loa (eye worm) cathepsin B 0.0129 0.1249 0.2498
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0083 0.0666 0.1332
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0233 0.2551 0.5101
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0233 0.2551 0.5101
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Onchocerca volvulus Cathepsin L homolog 0.0083 0.0666 0.1332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0429 0.5001 1
Leishmania major cathepsin L-like protease 0.0429 0.5001 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1
Brugia malayi Cathepsin L-like precursor 0.0289 0.3244 0.6486
Echinococcus multilocularis cathepsin L 0.0083 0.0666 0.0666
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0397 0.0794
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0078 0.0157
Brugia malayi cathepsin L precursor 0.0083 0.0666 0.1332
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0083 0.0666 0.1332
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0233 0.2551 0.5101
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0223 0.2424 0.313
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0083 0.0666 0.5334
Entamoeba histolytica cysteine protease, putative 0.0223 0.2424 0.4755
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0083 0.0666 0.1332
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0429 0.5001 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.5 uM Inhibition of human alpha thrombin ChEMBL. 17010480
Ki (binding) = 2.5 uM Inhibition of human alpha thrombin ChEMBL. 17010480

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

1 literature reference was collected for this gene.

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