Detailed information for compound 1460344

Basic information

Technical information
  • TDR Targets ID: 1460344
  • Name: 4-(methylsulfanylmethyl)-N-(phenylmethyl)benz amide
  • MW: 271.377 | Formula: C16H17NOS
  • H donors: 1 H acceptors: 1 LogP: 3.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCc1ccc(cc1)C(=O)NCc1ccccc1
  • InChi: 1S/C16H17NOS/c1-19-12-14-7-9-15(10-8-14)16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
  • InChiKey: JIZVAGALBMQZKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(methylthio)methyl]-N-(phenylmethyl)benzamide
  • N-(benzyl)-4-[(methylthio)methyl]benzamide
  • T5322936
  • ZINC03422909
  • MLS000335841
  • SMR000253595

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
Entamoeba histolytica cysteine protease, putative 0.051 0.6025 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0112 0.0975 0.0975
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0003 0.0005
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Echinococcus granulosus cathepsin b 0.0823 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.0975 0.1618
Schistosoma mansoni tar DNA-binding protein 0.0062 0.034 0.034
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Giardia lamblia Cathepsin L precursor 0.0112 0.0975 0.0342
Schistosoma mansoni cathepsin F (C01 family) 0.051 0.6025 0.6025
Entamoeba histolytica cysteine proteinase 1, putative 0.0273 0.3022 0.4911
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0155 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0112 0.0975 0.1618
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0155 1
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Entamoeba histolytica cysteine proteinase, putative 0.0273 0.3022 0.4911
Trypanosoma cruzi cruzipain precursor, putative 0.051 0.6025 0.6025
Loa Loa (eye worm) cysteine protease 0.051 0.6025 0.6025
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0161 0.16 0.16
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0273 0.3022 0.3022
Onchocerca volvulus Cathepsin L homolog 0.0112 0.0975 0.1618
Trypanosoma cruzi cysteine peptidase, putative 0.051 0.6025 0.6025
Brugia malayi cathepsin Z-like cysteine proteinase 0.0112 0.0975 0.0975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0273 0.3022 0.5016
Echinococcus multilocularis tar DNA binding protein 0.0062 0.034 0.034
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.0975 0.0975
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0179 0.0179
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0155 0.0258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.0975 0.1618
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Plasmodium falciparum serine repeat antigen 8 0.0112 0.0975 0.1614
Plasmodium falciparum serine repeat antigen 9 0.0112 0.0975 0.1614
Schistosoma mansoni tar DNA-binding protein 0.0062 0.034 0.034
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0349 0.3978 0.3978
Schistosoma mansoni tar DNA-binding protein 0.0062 0.034 0.034
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.0975 0.0975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Loa Loa (eye worm) hypothetical protein 0.0112 0.0975 0.0975
Loa Loa (eye worm) hypothetical protein 0.0035 0.0003 0.0003
Schistosoma mansoni cathepsin F (C01 family) 0.051 0.6025 0.6025
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Echinococcus granulosus cathepsin b 0.0823 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0161 0.16 0.16
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0112 0.0975 0.1614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0155 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.051 0.6025 1
Leishmania major cysteine peptidase A (CPA) 0.051 0.6025 1
Trypanosoma cruzi cysteine peptidase, putative 0.051 0.6025 0.6025
Plasmodium falciparum serine repeat antigen 3 0.0112 0.0975 0.1614
Schistosoma mansoni cathepsin B (C01 family) 0.0112 0.0975 0.0975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0155 0.0052
Giardia lamblia Cathepsin L precursor 0.0112 0.0975 0.0342
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0112 0.0975 0.0975
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0823 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0003 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0332 0.3766 0.625
Brugia malayi Cathepsin L-like precursor 0.051 0.6025 0.6025
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0155 0.0052
Loa Loa (eye worm) glycogen phosphorylase 0.0104 0.0876 0.0876
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0104 0.0876 0.1454
Giardia lamblia Cathepsin B precursor 0.0112 0.0975 0.0342
Toxoplasma gondii cathepsin CPC2 0.0112 0.0975 0.1618
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.16 0.16
Onchocerca volvulus 0.051 0.6025 1
Trypanosoma cruzi cysteine proteinase, putative 0.0273 0.3022 0.3022
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0045 0.0125 0.8034
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0112 0.0975 0.0975
Entamoeba histolytica cysteine proteinase, putative 0.0273 0.3022 0.4911
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0112 0.0975 0.1614
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0045 0.0125 0.0518
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Schistosoma mansoni glycogen phosphorylase 0.0104 0.0876 0.0876
Echinococcus granulosus cathepsin l cysteine peptidase 0.051 0.6025 0.6025
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0155 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.051 0.6025 0.6025
Schistosoma mansoni cathepsin S (C01 family) 0.0112 0.0975 0.0975
Plasmodium vivax unspecified product 0.0273 0.3022 0.5016
Entamoeba histolytica cysteine proteinase, putative 0.051 0.6025 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0112 0.0975 0.1618
Entamoeba histolytica cysteine protease, putative 0.0112 0.0975 0.144
Plasmodium falciparum cysteine proteinase falcipain 3 0.051 0.6025 1
Onchocerca volvulus 0.0098 0.0795 0.132
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Onchocerca volvulus 0.051 0.6025 1
Trypanosoma cruzi cysteine peptidase, putative 0.0273 0.3022 0.3022
Giardia lamblia Cathepsin L-like protease 0.0112 0.0975 0.0342
Schistosoma mansoni cathepsin C 0.0112 0.0975 0.0975
Echinococcus multilocularis cathepsin l cysteine peptidase 0.051 0.6025 0.6025
Loa Loa (eye worm) hypothetical protein 0.0112 0.0975 0.0975
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Echinococcus multilocularis cathepsin l cysteine peptidase 0.051 0.6025 0.6025
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.9626 0.9626
Entamoeba histolytica cysteine proteinase 2 0.0273 0.3022 0.4911
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0112 0.0975 0.0342
Onchocerca volvulus Cathepsin L homolog 0.051 0.6025 1
Echinococcus multilocularis serotonin receptor 0.0146 0.1399 0.1399
Brugia malayi carbohydrate phosphorylase 0.0104 0.0876 0.0876
Loa Loa (eye worm) papain family cysteine protease containing protein 0.051 0.6025 0.6025
Entamoeba histolytica glycogen phosphorylase, putative 0.0104 0.0876 0.1273
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Echinococcus multilocularis cathepsin L 0.0112 0.0975 0.0975
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0823 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.051 0.6025 0.6025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.0975 0.1618
Plasmodium falciparum cysteine proteinase falcipain 1 0.0273 0.3022 0.5013
Echinococcus multilocularis serotonin receptor 0.0146 0.1399 0.1399
Chlamydia trachomatis glycogen phosphorylase 0.0104 0.0876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Trypanosoma cruzi cysteine peptidase, putative 0.051 0.6025 0.6025
Echinococcus granulosus cathepsin l1 0.0349 0.3978 0.3978
Echinococcus granulosus cathepsin L 0.0112 0.0975 0.0975
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Plasmodium falciparum serine repeat antigen 1 0.0112 0.0975 0.1614
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0112 0.0975 0.1618
Schistosoma mansoni cathepsin F (C01 family) 0.0349 0.3978 0.3978
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0112 0.0975 0.1618
Loa Loa (eye worm) fibroinase 0.051 0.6025 0.6025
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0332 0.3766 0.3766
Brugia malayi Papain family cysteine protease containing protein 0.051 0.6025 0.6025
Brugia malayi cathepsin L-like cysteine proteinase 0.0112 0.0975 0.0975
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0179 0.0179
Schistosoma mansoni tar DNA-binding protein 0.0062 0.034 0.034
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.0975 0.0975
Entamoeba histolytica cysteine proteinase, putative 0.051 0.6025 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Toxoplasma gondii cathepsin B 0.0332 0.3766 0.625
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0112 0.0975 0.0975
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.3766 0.3766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0349 0.3978 0.6602
Schistosoma mansoni tar DNA-binding protein 0.0062 0.034 0.034
Giardia lamblia Cathepsin L precursor 0.0112 0.0975 0.0342
Echinococcus multilocularis cathepsin L cysteine protease 0.051 0.6025 0.6025
Loa Loa (eye worm) hypothetical protein 0.0152 0.1482 0.1482
Loa Loa (eye worm) hypothetical protein 0.0161 0.16 0.16
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0273 0.3022 0.5016
Loa Loa (eye worm) hypothetical protein 0.0161 0.16 0.16
Giardia lamblia Hypothetical protein 0.0112 0.0975 0.0342
Onchocerca volvulus 0.051 0.6025 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.0104 0.0876 0.1454
Brugia malayi Papain family cysteine protease containing protein 0.0273 0.3022 0.3022
Loa Loa (eye worm) cathepsin B 0.0332 0.3766 0.3766
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0823 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0161 0.16 0.16
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Plasmodium vivax vivapain-3 0.0273 0.3022 0.5016
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0155 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0112 0.0975 0.1618
Plasmodium falciparum serine repeat antigen 5 0.0112 0.0975 0.1614
Giardia lamblia Cysteine protease 0.0112 0.0975 0.0342
Plasmodium vivax unspecified product 0.0161 0.16 0.2656
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0112 0.0975 0.1618
Echinococcus multilocularis cysteine protease 0.051 0.6025 0.6025
Loa Loa (eye worm) hypothetical protein 0.0035 0.0003 0.0003
Brugia malayi Cathepsin L-like precursor 0.0161 0.16 0.16
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0349 0.3978 0.3978
Loa Loa (eye worm) ctsf protein 0.051 0.6025 0.6025
Schistosoma mansoni cathepsin s 0.0161 0.16 0.16
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0112 0.0975 0.0975
Loa Loa (eye worm) hypothetical protein 0.0349 0.3978 0.3978
Plasmodium vivax vivapain-1 0.0273 0.3022 0.5016
Entamoeba histolytica cysteine protease, putative 0.0112 0.0975 0.144
Echinococcus granulosus cysteine protease 0.0273 0.3022 0.3022
Loa Loa (eye worm) hypothetical protein 0.0035 0.0003 0.0003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Giardia lamblia Cathepsin L precursor 0.0112 0.0975 0.0342
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0155 0.0155
Giardia lamblia Cathepsin B precursor 0.0332 0.3766 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Loa Loa (eye worm) hypothetical protein 0.0349 0.3978 0.3978
Entamoeba histolytica cysteine proteinase, putative 0.0349 0.3978 0.653
Toxoplasma gondii cathepsin CPL 0.051 0.6025 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0146 0.1399 0.1399
Entamoeba histolytica cysteine protease, putative 0.0112 0.0975 0.144
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0112 0.0975 0.1618
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0975 0.1618
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0112 0.0975 0.0342
Loa Loa (eye worm) RNA binding protein 0.0062 0.034 0.034
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0273 0.3022 0.3022
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0112 0.0975 0.0342
Brugia malayi Serotonin receptor 0.0474 0.5563 0.5563
Plasmodium vivax unspecified product 0.0112 0.0975 0.1618
Onchocerca volvulus 0.0152 0.1482 0.2459
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0112 0.0975 0.144
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0112 0.0975 0.1618
Echinococcus granulosus cathepsin L cysteine protease 0.0273 0.3022 0.3022
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0155 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0112 0.0975 0.1618
Echinococcus granulosus glycogen phosphorylase 0.0104 0.0876 0.0876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.0975 0.1618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0349 0.3978 0.6602
Echinococcus multilocularis cathepsin b 0.0823 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.0975 0.0975
Echinococcus multilocularis glycogen phosphorylase 0.0104 0.0876 0.0876
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0112 0.0975 0.1618
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.051 0.6025 0.6025
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0155 0.0155
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0155 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0823 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0112 0.0975 0.1618
Onchocerca volvulus Cathepsin L homolog 0.051 0.6025 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0112 0.0975 0.1614
Brugia malayi hypothetical protein 0.0152 0.1482 0.1482
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Giardia lamblia Cathepsin L precursor 0.0112 0.0975 0.0342
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Mycobacterium ulcerans hypothetical protein 0.0048 0.0155 1
Onchocerca volvulus 0.051 0.6025 1
Plasmodium vivax vivapain-2 0.051 0.6025 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0155 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0112 0.0975 0.1618
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0179 0.0179
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0112 0.0975 0.1618
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.034 0.034
Schistosoma mansoni glycogen phosphorylase 0.0045 0.0125 0.0125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0112 0.0975 0.0975
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0112 0.0975 0.0975
Toxoplasma gondii cathepsin CPC1 0.0112 0.0975 0.1618
Trypanosoma cruzi cysteine protease, putative 0.0273 0.3022 0.3022
Schistosoma mansoni cellular tumor antigen P53 0.0098 0.0795 0.0795
Loa Loa (eye worm) hypothetical protein 0.0112 0.0975 0.0975
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0112 0.0975 0.0342
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.0975 0.1618
Onchocerca volvulus 0.051 0.6025 1
Brugia malayi Cathepsin L-like precursor 0.051 0.6025 0.6025
Entamoeba histolytica cysteine protease, putative 0.0112 0.0975 0.144
Brugia malayi Cathepsin L-like precursor 0.0349 0.3978 0.3978
Echinococcus granulosus tumor protein p63 0.0669 0.8041 0.8041
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.0975 0.1618
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Echinococcus granulosus glycogen phosphorylase 0.0104 0.0876 0.0876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Entamoeba histolytica cysteine protease, putative 0.0112 0.0975 0.144
Giardia lamblia Cathepsin B precursor 0.0112 0.0975 0.0342
Echinococcus granulosus cathepsin l1 0.051 0.6025 0.6025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.0975 0.1618
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0155 0.0155
Onchocerca volvulus 0.0048 0.0155 0.0258
Onchocerca volvulus Cathepsin F homolog 0.051 0.6025 1
Onchocerca volvulus 0.051 0.6025 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0975 0.0975
Loa Loa (eye worm) hypothetical protein 0.0035 0.0003 0.0003
Plasmodium vivax serine-repeat antigen (SERA) 0.0112 0.0975 0.1618
Brugia malayi cathepsin L precursor 0.0112 0.0975 0.0975
Plasmodium falciparum serine repeat antigen 7 0.0112 0.0975 0.1614
Loa Loa (eye worm) hypothetical protein 0.0823 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Brugia malayi Papain family cysteine protease containing protein 0.0273 0.3022 0.3022
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Loa Loa (eye worm) hypothetical protein 0.0098 0.0795 0.0795
Plasmodium falciparum cysteine proteinase falcipain 2a 0.051 0.6025 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0823 1 1
Brugia malayi TAR-binding protein 0.0062 0.034 0.034
Echinococcus granulosus Glycosyl transferase family 35 0.0104 0.0876 0.0876
Onchocerca volvulus 0.0112 0.0975 0.1618
Giardia lamblia Cathepsin B precursor 0.0112 0.0975 0.0342
Loa Loa (eye worm) hypothetical protein 0.0161 0.16 0.16
Giardia lamblia Cathepsin L precursor 0.0112 0.0975 0.0342
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0112 0.0975 0.144
Loa Loa (eye worm) hypothetical protein 0.0146 0.1399 0.1399
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0112 0.0975 0.1618
Loa Loa (eye worm) hypothetical protein 0.0048 0.0155 0.0155
Brugia malayi Cathepsin L-like precursor 0.051 0.6025 0.6025
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0332 0.3766 0.625
Schistosoma mansoni glycogen phosphorylase 0.0104 0.0876 0.0876
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.0975 0.1618
Brugia malayi Cathepsin L-like precursor 0.051 0.6025 0.6025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0273 0.3022 0.5016
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.0975 0.0975
Brugia malayi Cathepsin L-like precursor 0.0349 0.3978 0.3978
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0155 0.0258
Brugia malayi cathepsin F-like cysteine proteinase 0.0112 0.0975 0.0975
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Entamoeba histolytica cysteine protease, putative 0.0112 0.0975 0.144
Giardia lamblia Cathepsin B precursor 0.0332 0.3766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.241 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Giardia lamblia Cysteine protease 0.0112 0.0975 0.0342
Echinococcus multilocularis cysteine protease 0.051 0.6025 0.6025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0179 0.0179
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0112 0.0975 0.1618
Trypanosoma cruzi cysteine peptidase, putative 0.051 0.6025 0.6025
Entamoeba histolytica glycogen phosphorylase, putative 0.0104 0.0876 0.1273
Giardia lamblia Cathepsin B precursor 0.0112 0.0975 0.0342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0179 0.0179
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0273 0.3022 0.3022
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0112 0.0975 0.1618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.0975 0.0975
Loa Loa (eye worm) hypothetical protein 0.0048 0.0155 0.0155
Loa Loa (eye worm) TAR-binding protein 0.0062 0.034 0.034
Brugia malayi cathepsin Z-like cysteine proteinase 0.0112 0.0975 0.0975
Plasmodium falciparum serine repeat antigen 6 0.0112 0.0975 0.1614
Plasmodium falciparum serine repeat antigen 2 0.0112 0.0975 0.1614
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Loa Loa (eye worm) hypothetical protein 0.0146 0.1399 0.1399
Echinococcus granulosus biogenic amine 5HT receptor 0.0146 0.1399 0.1399
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0155 0.0052
Brugia malayi Cathepsin L-like precursor 0.051 0.6025 0.6025
Giardia lamblia Cathepsin L-like protease 0.0112 0.0975 0.0342
Loa Loa (eye worm) hypothetical protein 0.051 0.6025 0.6025
Echinococcus multilocularis cathepsin b 0.0823 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0273 0.3022 0.5016
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0975 0.1618
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Echinococcus multilocularis tumor protein p63 0.0669 0.8041 0.8041
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0003 0.0013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.0975 0.1618
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.0975 0.0975
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0179 0.0179
Plasmodium falciparum serine repeat antigen 4 0.0112 0.0975 0.1614
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Giardia lamblia Cathepsin B precursor 0.0332 0.3766 1
Entamoeba histolytica cysteine proteinase, putative 0.0273 0.3022 0.4911
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.051 0.6025 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Entamoeba histolytica cysteine proteinase, putative 0.0273 0.3022 0.4911
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.0975 0.0975
Brugia malayi fibroinase precursor 0.0112 0.0975 0.0975
Plasmodium falciparum cysteine proteinase falcipain 2b 0.051 0.6025 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0155 0.0645
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.051 0.6025 1
Echinococcus multilocularis cathepsin L 0.0273 0.3022 0.3022
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0112 0.0975 0.1618
Entamoeba histolytica hypothetical protein 0.0112 0.0975 0.144
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0112 0.0975 0.0975
Leishmania major cathepsin L-like protease 0.051 0.6025 1
Onchocerca volvulus 0.051 0.6025 1
Brugia malayi RNA binding protein 0.0062 0.034 0.034
Giardia lamblia Cathepsin B precursor 0.0112 0.0975 0.0342
Brugia malayi Cathepsin L-like precursor 0.051 0.6025 0.6025
Giardia lamblia Cysteine protease 0.0112 0.0975 0.0342
Echinococcus granulosus tar DNA binding protein 0.0062 0.034 0.034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0179 0.0179
Giardia lamblia Cysteine protease 0.0112 0.0975 0.0342
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0155 0.0258
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0155 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0112 0.0975 0.1618
Trichomonas vaginalis glycogen phosphorylase, putative 0.0104 0.0876 0.1454
Onchocerca volvulus 0.0349 0.3978 0.6602
Trypanosoma cruzi cysteine proteinase, putative 0.0273 0.3022 0.3022
Giardia lamblia Encystation-specific protease 0.0112 0.0975 0.0342
Echinococcus granulosus cathepsin L 0.0273 0.3022 0.3022
Loa Loa (eye worm) hypothetical protein 0.0048 0.0155 0.0155
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0112 0.0975 0.1618
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0273 0.3022 0.3022
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.051 0.6025 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0112 0.0975 0.1618
Entamoeba histolytica cysteine protease, putative 0.0273 0.3022 0.4911
Brugia malayi cathepsin F-like cysteine proteinase 0.0161 0.16 0.16
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0975 0.0975
Echinococcus multilocularis glycogen phosphorylase 0.0104 0.0876 0.0876
Echinococcus multilocularis Glycosyl transferase, family 35 0.0104 0.0876 0.0876
Trypanosoma cruzi major cysteine proteinase, putative 0.0112 0.0975 0.0975
Loa Loa (eye worm) hypothetical protein 0.0349 0.3978 0.3978
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.6025 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0112 0.0975 0.0975
Brugia malayi cathepsin L-like precursor 0.0349 0.3978 0.3978
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0003 0.0199
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.034 0.034
Giardia lamblia Hypothetical protein 0.0112 0.0975 0.0342
Trypanosoma brucei cysteine peptidase C (CPC) 0.0332 0.3766 0.625
Plasmodium vivax vivapain-2 0.051 0.6025 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0112 0.0975 0.0975
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0155 0.0645
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0179 0.0179

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.1198 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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