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