Detailed information for compound 1781204

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.934 | Formula: C21H22ClN3O5S
  • H donors: 2 H acceptors: 4 LogP: 3.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(s1)Cl)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(=O)O
  • InChi: 1S/C21H22ClN3O5S/c22-18-6-5-17(31-18)19(26)23-11-16-12-25(21(29)30-16)15-3-1-14(2-4-15)24-9-7-13(8-10-24)20(27)28/h1-6,13,16H,7-12H2,(H,23,26)(H,27,28)/t16-/m0/s1
  • InChiKey: NTHTVBYMCWQXSW-INIZCTEOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL No references
Homo sapiens coagulation factor X Starlite/ChEMBL No 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
Giardia lamblia Hypothetical protein 0.0072 0.036 0.2386
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0072 0.036 0.1802
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0244 0.1441 0.3738
Loa Loa (eye worm) hypothetical protein 0.0048 0.0209 0.0541
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.036 0.1802
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.0985 0.2553
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Brugia malayi Cathepsin L-like precursor 0.0316 0.1901 0.4929
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Brugia malayi Cathepsin L-like precursor 0.0217 0.1276 0.3309
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0072 0.036 0.2386
Echinococcus granulosus cathepsin b 0.0626 0.3856 1
Plasmodium falciparum serine repeat antigen 5 0.0072 0.036 0.1802
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0626 0.3856 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1036 0.2687
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0108 0.0281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0072 0.036 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0171 0.0985 0.5126
Toxoplasma gondii preprocathepsin c precursor, putative 0.0072 0.036 0.1872
Entamoeba histolytica cysteine protease, putative 0.0072 0.036 0.1802
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Giardia lamblia Cysteine protease 0.0072 0.036 0.2386
Brugia malayi MH2 domain containing protein 0.0117 0.0641 0.1661
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0626 0.3856 1
Echinococcus multilocularis cathepsin L 0.0072 0.036 0.036
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0108 0.057
Trypanosoma cruzi major cysteine proteinase, putative 0.0072 0.036 0.0883
Echinococcus granulosus histone acetyltransferase MYST2 0.0107 0.0577 0.1498
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.036 0.1802
Echinococcus multilocularis cathepsin L 0.0171 0.0985 0.0985
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Loa Loa (eye worm) hypothetical protein 0.0072 0.036 0.0934
Giardia lamblia Cathepsin B precursor 0.0072 0.036 0.2386
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Brugia malayi Cathepsin L-like precursor 0.0316 0.1901 0.4929
Echinococcus multilocularis polycomb protein SCMH1 0.0094 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0072 0.036 0.0934
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0097
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0107 0.0577 0.1498
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0108 0.0281
Onchocerca volvulus Cathepsin L homolog 0.0316 0.1901 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0072 0.036 0.2386
Onchocerca volvulus Cathepsin F homolog 0.0316 0.1901 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.003
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0108 0.0281
Echinococcus granulosus cathepsin L cysteine proteinase 0.0316 0.1901 0.4929
Echinococcus granulosus cathepsin L 0.0171 0.0985 0.2553
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0316 0.1901 0.4929
Brugia malayi hypothetical protein 0.0025 0.0059 0.0153
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.036 0.1802
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0072 0.036 0.1802
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.0055
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Onchocerca volvulus 0.0032 0.0108 0.057
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0072 0.036 0.1802
Echinococcus multilocularis cathepsin b 0.0626 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0013
Onchocerca volvulus 0.0316 0.1901 1
Trypanosoma cruzi cysteine peptidase, putative 0.0316 0.1901 0.4901
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0108 0.0281
Entamoeba histolytica cysteine protease, putative 0.0072 0.036 0.1802
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.003
Brugia malayi nuclear receptor RXR 0.0017 0.0012 0.003
Plasmodium vivax vivapain-1 0.0171 0.0985 0.5126
Echinococcus granulosus cathepsin l cysteine peptidase 0.0316 0.1901 0.4929
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.036 0.1802
Trypanosoma cruzi cysteine peptidase, putative 0.0171 0.0985 0.2512
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Schistosoma mansoni hypothetical protein 0.0574 0.3528 0.9149
Echinococcus multilocularis cysteine protease 0.0316 0.1901 0.1901
Trypanosoma cruzi cysteine peptidase, putative 0.0316 0.1901 0.4901
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0094 0.0496 0.2607
Echinococcus granulosus laminin 0.0016 0.0005 0.0013
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0072 0.036 0.0934
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.036 0.0934
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0072 0.036 0.1802
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0108 0.0281
Plasmodium falciparum serine repeat antigen 1 0.0072 0.036 0.1802
Echinococcus multilocularis cathepsin L cysteine protease 0.0316 0.1901 0.1901
Plasmodium vivax serine-repeat antigen (SERA) 0.0072 0.036 0.1802
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0072 0.036 0.1802
Brugia malayi hypothetical protein 0.0017 0.0012 0.003
Echinococcus multilocularis cysteine protease 0.0316 0.1901 0.1901
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0108 0.0281
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0072 0.036 0.0934
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 0.1036 0.5451
Brugia malayi ecdysteroid receptor 0.0032 0.0108 0.0281
Onchocerca volvulus 0.0316 0.1901 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0094 0.0496 0.1285
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0021 0.0055
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0072 0.036 0.1802
Toxoplasma gondii cathepsin B 0.0244 0.1441 0.7576
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0072 0.036 0.1802
Trypanosoma cruzi cysteine proteinase, putative 0.0171 0.0985 0.2512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.036 0.1802
Echinococcus granulosus tumor protein p63 0.0331 0.199 0.5161
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0171 0.0985 0.2553
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0108 0.0281
Onchocerca volvulus 0.0217 0.1276 0.6714
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Loa Loa (eye worm) mbt repeat family protein 0.0094 0.0496 0.1285
Loa Loa (eye worm) ctsf protein 0.0316 0.1901 0.4929
Brugia malayi cathepsin F-like cysteine proteinase 0.0072 0.036 0.0934
Loa Loa (eye worm) fibroinase 0.0316 0.1901 0.4929
Echinococcus multilocularis cathepsin b 0.0626 0.3856 0.3856
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0021 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0059 0.02
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0072 0.036 0.0934
Trypanosoma cruzi cysteine peptidase, putative 0.0316 0.1901 0.4901
Loa Loa (eye worm) hypothetical protein 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0171 0.0985 0.5126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0108 0.0281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Giardia lamblia Cathepsin B precursor 0.0072 0.036 0.2386
Echinococcus granulosus cathepsin l1 0.0316 0.1901 0.4929
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.0496 0.1285
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0316 0.1901 1
Onchocerca volvulus Arrow homolog 0.0016 0.0005 0.0027
Giardia lamblia Cathepsin L precursor 0.0072 0.036 0.2386
Plasmodium vivax vivapain-3 0.0171 0.0985 0.5126
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0016 0.0005 0.0013
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0038 0.0171
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0641 0.1661
Loa Loa (eye worm) hypothetical protein 0.0072 0.036 0.0934
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Loa Loa (eye worm) hypothetical protein 0.0626 0.3856 1
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0108 0.0281
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0626 0.3856 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0072 0.036 0.1802
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0171 0.0985 0.5126
Brugia malayi hypothetical protein 0.0017 0.0012 0.003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.036 0.1802
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0217 0.1276 0.3272
Entamoeba histolytica cysteine proteinase 2 0.0171 0.0985 0.5126
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0108 0.0281
Schistosoma mansoni cathepsin C 0.0072 0.036 0.0934
Loa Loa (eye worm) hypothetical protein 0.0025 0.0059 0.0153
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.036 0.1802
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0108 0.0281
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.0985 0.5126
Trypanosoma cruzi cysteine proteinase, putative 0.0171 0.0985 0.2512
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0059 0.02
Brugia malayi Cathepsin L-like cysteine proteinase 0.0217 0.1276 0.3309
Echinococcus multilocularis fibrillin 1 0.0016 0.0005 0.0005
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0171 0.0985 0.2553
Trypanosoma cruzi cysteine peptidase, putative 0.0099 0.0528 0.1321
Toxoplasma gondii cathepsin CPL 0.0316 0.1901 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0316 0.1901 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0316 0.1901 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0038 0.0087
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0108 0.0281
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0072 0.036 0.0934
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0072 0.036 0.1802
Brugia malayi Cathepsin L-like precursor 0.0316 0.1901 0.4929
Echinococcus multilocularis SAM and MBT domain containing protein 0.0094 0.0496 0.0496
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0108 0.0281
Echinococcus multilocularis laminin 0.0016 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.036 0.1802
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0108 0.0108
Giardia lamblia Cathepsin B precursor 0.0072 0.036 0.2386
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0641 0.1661
Loa Loa (eye worm) cysteine protease 0.0316 0.1901 0.4929
Brugia malayi Papain family cysteine protease containing protein 0.0072 0.036 0.0934
Plasmodium falciparum serine repeat antigen 3 0.0072 0.036 0.1802
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0108 0.0281
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0072 0.036 0.1802
Onchocerca volvulus Cathepsin L homolog 0.0316 0.1901 1
Onchocerca volvulus 0.0072 0.036 0.1894
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.036 0.1802
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0108 0.0108
Schistosoma mansoni egf-like domain protein 0.0016 0.0005 0.0013
Loa Loa (eye worm) hypothetical protein 0.0072 0.036 0.0934
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0038 0.0097
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0108 0.0281
Brugia malayi Cathepsin L-like precursor 0.0217 0.1276 0.3309
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0072 0.036 0.1802
Echinococcus granulosus cathepsin l1 0.0217 0.1276 0.3309
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0108 0.0108
Giardia lamblia Hypothetical protein 0.0072 0.036 0.2386
Brugia malayi mbt repeat family protein 0.0094 0.0496 0.1285
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0072 0.036 0.0934
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Trypanosoma cruzi cysteine peptidase, putative 0.0316 0.1901 0.4901
Schistosoma mansoni cathepsin F (C01 family) 0.0316 0.1901 0.4929
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Giardia lamblia Cathepsin B precursor 0.0072 0.036 0.2386
Brugia malayi Cathepsin L-like precursor 0.0099 0.0528 0.1369
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Echinococcus granulosus polycomb protein SCMH1 0.0094 0.0496 0.1285
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0072 0.036 0.1802
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0013
Giardia lamblia Cathepsin L precursor 0.0072 0.036 0.2386
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0108 0.057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0108 0.0281
Onchocerca volvulus 0.0316 0.1901 1
Trypanosoma cruzi cysteine protease, putative 0.0171 0.0985 0.2512
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0171 0.0985 0.5126
Plasmodium vivax vivapain-2 0.0316 0.1901 1
Brugia malayi Calcium binding EGF domain containing protein 0.0016 0.0005 0.0013
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0373 0.2261 0.2261
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0316 0.1901 0.4929
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0316 0.1901 0.1901
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0021 0.0021
Echinococcus granulosus Tolloid protein 1 0.0016 0.0005 0.0013
Brugia malayi Cathepsin L-like precursor 0.0316 0.1901 0.4929
Schistosoma mansoni cathepsin s 0.0099 0.0528 0.1369
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0072 0.036 0.2386
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0244 0.1441 0.7555
Schistosoma mansoni cathepsin F (C01 family) 0.0316 0.1901 0.4929
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0108 0.0108
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0072 0.036 0.1802
Leishmania major hypothetical protein, conserved 0.0025 0.0059 0.02
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0107 0.0577 0.1498
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0217 0.1276 0.6677
Loa Loa (eye worm) hypothetical protein 0.0217 0.1276 0.3309
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0072 0.036 0.0934
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0072 0.036 0.1802
Giardia lamblia Cathepsin L-like protease 0.0072 0.036 0.2386
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0316 0.1901 0.4929
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0108 0.0281
Echinococcus granulosus cathepsin b 0.0626 0.3856 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0108 0.0281
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0038 0.0043
Onchocerca volvulus 0.0048 0.0209 0.1098
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0108 0.0281
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0038 0.0097
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Plasmodium falciparum serine repeat antigen 9 0.0072 0.036 0.1802
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0108 0.0281
Trypanosoma cruzi cruzipain precursor, putative 0.0316 0.1901 0.4901
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0059 0.02
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0038 0.0038
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0244 0.1441 0.3703
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0099 0.0528 0.1369
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0108 0.0281
Trypanosoma cruzi major cysteine proteinase, putative 0.0072 0.036 0.0883
Onchocerca volvulus 0.0316 0.1901 1
Brugia malayi cathepsin L precursor 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0171 0.0985 0.5126
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0072 0.036 0.1802
Entamoeba histolytica cysteine proteinase, putative 0.0316 0.1901 1
Brugia malayi fibroinase precursor 0.0072 0.036 0.0934
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0072 0.036 0.0934
Plasmodium vivax serine-repeat antigen (SERA) 0.0072 0.036 0.1802
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0005 0.0013
Brugia malayi Papain family cysteine protease containing protein 0.0072 0.036 0.0934
Brugia malayi hypothetical protein 0.0016 0.0004 0.001
Brugia malayi cathepsin F-like cysteine proteinase 0.0099 0.0528 0.1369
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0072 0.036 0.1802
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0099 0.0528 0.1369
Giardia lamblia Cysteine protease 0.0072 0.036 0.2386
Plasmodium falciparum serine repeat antigen 6 0.0072 0.036 0.1802
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0059 0.02
Echinococcus granulosus SAM and MBT domain containing protein 0.0094 0.0496 0.1285
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0072 0.036 0.1802
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0012 0.003
Schistosoma mansoni cathepsin S (C01 family) 0.0072 0.036 0.0934
Echinococcus granulosus cathepsin L cysteine protease 0.0171 0.0985 0.2553
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.0985 0.5126
Entamoeba histolytica cysteine protease, putative 0.0072 0.036 0.1802
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0171 0.0985 0.2512
Trypanosoma brucei cysteine peptidase C (CPC) 0.0244 0.1441 0.7555
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0059 0.0098
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0107 0.0577 0.0577
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0038 0.0087
Loa Loa (eye worm) hypothetical protein 0.0099 0.0528 0.1369
Loa Loa (eye worm) hypothetical protein 0.0107 0.0577 0.1498
Giardia lamblia Cathepsin L precursor 0.0072 0.036 0.2386
Schistosoma mansoni hypothetical protein 0.0021 0.0038 0.0097
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.0055
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0108 0.0281
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0016 0.0005 0.0013
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Echinococcus multilocularis Tolloid protein 1 0.0016 0.0005 0.0005
Entamoeba histolytica cysteine protease, putative 0.0072 0.036 0.1802
Plasmodium vivax unspecified product 0.0171 0.0985 0.5126
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0373 0.2261 0.5864
Brugia malayi nuclear receptor NHR-88 0.0032 0.0108 0.0281
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0316 0.1901 1
Loa Loa (eye worm) cathepsin B 0.0244 0.1441 0.3738
Entamoeba histolytica cysteine proteinase, putative 0.0217 0.1276 0.6677
Onchocerca volvulus Cathepsin L homolog 0.0072 0.036 0.1894
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0016 0.0005 0.0013
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0012 0.003
Onchocerca volvulus 0.0316 0.1901 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0626 0.3856 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Giardia lamblia Encystation-specific protease 0.0072 0.036 0.2386
Toxoplasma gondii cathepsin CPC2 0.0072 0.036 0.1872
Loa Loa (eye worm) hypothetical protein 0.0217 0.1276 0.3309
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0244 0.1441 0.7555
Entamoeba histolytica cysteine proteinase, putative 0.0316 0.1901 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0108 0.0281
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0108 0.0281
Plasmodium falciparum serine repeat antigen 2 0.0072 0.036 0.1802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0108 0.0281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0108 0.0281
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0072 0.036 0.1802
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0171 0.0985 0.2553
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0108 0.0108
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0072 0.036 0.1802
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0072 0.036 0.1802
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0021 0.5
Schistosoma mansoni coup transcription factor 0.0032 0.0108 0.0281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0108 0.0281
Entamoeba histolytica cysteine proteinase 1, putative 0.0171 0.0985 0.5126
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0108 0.0281
Echinococcus granulosus cysteine protease 0.0171 0.0985 0.2553
Leishmania major cathepsin L-like protease 0.0316 0.1901 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0059 0.0284
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0108 0.057
Brugia malayi nuclear hormone receptor 0.0032 0.0108 0.0281
Brugia malayi steroid hormone receptor 0.0032 0.0108 0.0281
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0059 0.0098
Entamoeba histolytica cysteine protease, putative 0.0316 0.1901 1
Onchocerca volvulus 0.0094 0.0496 0.2607
Echinococcus multilocularis tumor protein p63 0.0331 0.199 0.199
Brugia malayi cathepsin L-like precursor 0.0217 0.1276 0.3309
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.003
Giardia lamblia Cathepsin L precursor 0.0072 0.036 0.2386
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0108 0.0108
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0072 0.036 0.0934
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0072 0.036 0.0934
Plasmodium vivax unspecified product 0.0099 0.0528 0.2695
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.0985 0.5126
Plasmodium vivax vivapain-2 0.0316 0.1901 1
Schistosoma mansoni sex comb on midleg homolog 0.0094 0.0496 0.1285
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0012 0.003
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0021 0.0055
Brugia malayi Kringle domain containing protein 0.0021 0.0038 0.0097
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0626 0.3856 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0072 0.036 0.2386
Brugia malayi N-terminal motif family protein 0.0179 0.1036 0.2687
Onchocerca volvulus 0.0021 0.0038 0.0198
Entamoeba histolytica cysteine protease, putative 0.0072 0.036 0.1802
Brugia malayi cathepsin B-like cysteine proteinase 0.0626 0.3856 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Brugia malayi Papain family cysteine protease containing protein 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0316 0.1901 0.1901
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Toxoplasma gondii cathepsin CPC1 0.0072 0.036 0.1872
Echinococcus multilocularis histone acetyltransferase MYST2 0.0107 0.0577 0.0577
Giardia lamblia Cathepsin B precursor 0.0244 0.1441 1
Brugia malayi Cathepsin L-like precursor 0.0316 0.1901 0.4929
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0108 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Entamoeba histolytica hypothetical protein 0.0072 0.036 0.1802
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.003
Brugia malayi cathepsin Z-like cysteine proteinase 0.0072 0.036 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Loa Loa (eye worm) MBCTL1 0.0107 0.0577 0.1498
Schistosoma mansoni myelin transcription factor 1 myt1 0.0107 0.0577 0.1498
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0316 0.1901 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0012 0.003
Onchocerca volvulus 0.0316 0.1901 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0217 0.1276 0.6677
Entamoeba histolytica cysteine protease, putative 0.0072 0.036 0.1802
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0072 0.036 0.1802
Giardia lamblia Cathepsin B precursor 0.0244 0.1441 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0021 0.0085
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0072 0.036 0.1802
Onchocerca volvulus 0.0316 0.1901 1
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0012 0.003
Plasmodium falciparum serine repeat antigen 8 0.0072 0.036 0.1802
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0021 0.0055
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.0985 0.2553
Giardia lamblia Cathepsin L precursor 0.0072 0.036 0.2386
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0108 0.0108
Plasmodium falciparum serine repeat antigen 7 0.0072 0.036 0.1802
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0013
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0013
Brugia malayi mbt repeat family protein 0.0094 0.0496 0.1285
Echinococcus granulosus cathepsin L 0.0072 0.036 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Schistosoma mansoni cathepsin F (C01 family) 0.0217 0.1276 0.3309
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0209 0.0541
Brugia malayi Cathepsin L-like precursor 0.0316 0.1901 0.4929
Giardia lamblia Cysteine protease 0.0072 0.036 0.2386
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0108 0.0281
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0108 0.0108
Schistosoma mansoni cathepsin B (C01 family) 0.0072 0.036 0.0934
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0108 0.0281
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0108 0.0281
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.036 0.1802
Schistosoma mansoni sex comb on midleg homolog 0.0094 0.0496 0.1285
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0217 0.1276 0.3309
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.0985 0.5126
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0108 0.0281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Leishmania major hypothetical protein, conserved 0.0021 0.0038 0.0087
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0005 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0012 0.003
Plasmodium falciparum serine repeat antigen 4 0.0072 0.036 0.1802
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0108 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0108 0.0281
Giardia lamblia Cathepsin L-like protease 0.0072 0.036 0.2386
Giardia lamblia Cathepsin B precursor 0.0244 0.1441 1
Giardia lamblia Cathepsin B precursor 0.0072 0.036 0.2386
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0316 0.1901 0.1901
Trypanosoma cruzi cruzipain precursor, putative 0.0099 0.0528 0.1321
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0316 0.1901 1
Giardia lamblia Cysteine protease 0.0072 0.036 0.2386
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0108 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0108 0.0281
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0281
Loa Loa (eye worm) hypothetical protein 0.0099 0.0528 0.1369
Brugia malayi Fibulin-1 precursor 0.0016 0.0005 0.0013
Loa Loa (eye worm) hypothetical protein 0.0099 0.0528 0.1369
Plasmodium vivax unspecified product 0.0072 0.036 0.1802
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0316 0.1901 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.036 0.1802
Brugia malayi Protein kinase domain containing protein 0.0021 0.0038 0.0097
Brugia malayi Papain family cysteine protease containing protein 0.0316 0.1901 0.4929
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0013
Leishmania major cysteine peptidase A (CPA) 0.0316 0.1901 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0072 0.036 0.1802
Entamoeba histolytica cysteine protease, putative 0.0171 0.0985 0.5126
Giardia lamblia Cathepsin L precursor 0.0072 0.036 0.2386
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0316 0.1901 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0012 0.003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0108 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0108 0.0281

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 300 uM Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay ChEMBL. 23644213
Ki (binding) = 0.0887 uM Inhibition of factor 10a (unknown origin) using S-2222 as substrate after 15 mins by spectrophotometry ChEMBL. No reference
Ki (binding) = 16.6 uM Inhibition of thrombin (unknown origin) using S-2238 as substrate after 15 mins by spectrophotometry ChEMBL. No reference
Ki (binding) > 100 uM Inhibition of trypsin (unknown origin) using S-2222 as substrate after 15 mins by spectrophotometry ChEMBL. No reference

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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