Detailed information for compound 220501

Basic information

Technical information
  • TDR Targets ID: 220501
  • Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloroa cetamide
  • MW: 302.779 | Formula: C15H11ClN2OS
  • H donors: 1 H acceptors: 2 LogP: 3.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)Nc1ccc(cc1)c1nc2c(s1)cccc2
  • InChi: 1S/C15H11ClN2OS/c16-9-14(19)17-11-7-5-10(6-8-11)15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19)
  • InChiKey: VYBXOEFTXLCKFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-acetamide
  • N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-ethanamide
  • 2-(4-Chloroacetylaminophenyl)benzothiazole
  • NSC676000
  • NCI60_026840

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
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0084 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0303 0.3261 0.5055
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0566 0.6369 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0179 0.1804 0.1735
Onchocerca volvulus 0.0566 0.6369 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0123 0.1142 0.2787
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Giardia lamblia Cysteine protease 0.0123 0.1142 0.2787
Toxoplasma gondii preprocathepsin c precursor, putative 0.0123 0.1142 0.1684
Plasmodium falciparum serine repeat antigen 9 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0123 0.1142 0.1684
Brugia malayi Cathepsin L-like precursor 0.0566 0.6369 0.6338
Trypanosoma cruzi major cysteine proteinase, putative 0.0123 0.1142 0.1067
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0303 0.3261 0.3204
Toxoplasma gondii cathepsin B 0.0355 0.3882 0.6043
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0873 1 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0123 0.1142 0.1684
Trypanosoma cruzi cysteine peptidase, putative 0.0179 0.1804 0.1735
Brugia malayi Cathepsin L-like precursor 0.0179 0.1804 0.1735
Loa Loa (eye worm) hypothetical protein 0.0123 0.1142 0.1067
Brugia malayi Cathepsin L-like cysteine proteinase 0.0386 0.425 0.4201
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.0566 0.6369 0.6338
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0386 0.425 0.6629
Plasmodium vivax unspecified product 0.0123 0.1142 0.1684
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0084 0.5
Giardia lamblia Cysteine protease 0.0123 0.1142 0.2787
Loa Loa (eye worm) hypothetical protein 0.0386 0.425 0.4201
Trypanosoma cruzi cysteine proteinase, putative 0.0303 0.3261 0.3204
Entamoeba histolytica cysteine proteinase, putative 0.0303 0.3261 0.4054
Plasmodium vivax serine-repeat antigen (SERA) 0.0123 0.1142 0.1684
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0408 0.0408
Trypanosoma brucei cysteine peptidase C (CPC) 0.0355 0.3882 0.6043
Echinococcus granulosus cathepsin l1 0.0386 0.425 0.4201
Plasmodium falciparum serine repeat antigen 8 0.0123 0.1142 0.1684
Brugia malayi cathepsin F-like cysteine proteinase 0.0123 0.1142 0.1067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0303 0.3261 0.3204
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0303 0.3261 0.5055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Plasmodium vivax unspecified product 0.0303 0.3261 0.5055
Plasmodium falciparum serine repeat antigen 7 0.0123 0.1142 0.1684
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0873 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Brugia malayi RNA binding protein 0.0061 0.0408 0.0327
Echinococcus multilocularis cysteine protease 0.0566 0.6369 0.6369
Echinococcus granulosus cathepsin L cysteine proteinase 0.0566 0.6369 0.6338
Onchocerca volvulus 0.0123 0.1142 0.1684
Echinococcus multilocularis microtubule associated protein 2 0.0698 0.7926 0.7926
Giardia lamblia Cathepsin L precursor 0.0123 0.1142 0.2787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0123 0.1142 0.1684
Loa Loa (eye worm) cathepsin B 0.0355 0.3882 0.383
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.1142 0.1684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0123 0.1142 0.1684
Echinococcus multilocularis cathepsin L cysteine protease 0.0566 0.6369 0.6369
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0123 0.1142 0.1067
Entamoeba histolytica cysteine proteinase, putative 0.0303 0.3261 0.4054
Onchocerca volvulus 0.0566 0.6369 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0123 0.1142 0.1684
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Echinococcus multilocularis cathepsin b 0.0873 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1142 0.1067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0566 0.6369 0.6369
Loa Loa (eye worm) hypothetical protein 0.0123 0.1142 0.1067
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0355 0.3882 0.383
Entamoeba histolytica cysteine proteinase 1, putative 0.0303 0.3261 0.4054
Giardia lamblia Cathepsin L-like protease 0.0123 0.1142 0.2787
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0123 0.1142 0.1067
Trypanosoma cruzi cysteine protease, putative 0.0303 0.3261 0.3204
Toxoplasma gondii cathepsin CPL 0.0566 0.6369 1
Trypanosoma cruzi cysteine peptidase, putative 0.0566 0.6369 0.6338
Onchocerca volvulus 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0123 0.1142 0.1684
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0123 0.1142 0.1067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0123 0.1142 0.1684
Trypanosoma cruzi cysteine peptidase, putative 0.0303 0.3261 0.3204
Plasmodium vivax vivapain-2 0.0566 0.6369 1
Echinococcus granulosus cathepsin L 0.0123 0.1142 0.1067
Schistosoma mansoni microtubule-associated protein tau 0.0698 0.7926 0.7908
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0123 0.1142 0.1684
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0123 0.1142 0.1684
Brugia malayi Papain family cysteine protease containing protein 0.0123 0.1142 0.1067
Echinococcus multilocularis cathepsin b 0.0873 1 1
Plasmodium falciparum serine repeat antigen 5 0.0123 0.1142 0.1684
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0873 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0123 0.1142 0.1684
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0123 0.1142 0.2787
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0408 0.0327
Brugia malayi Cathepsin L-like precursor 0.0566 0.6369 0.6338
Schistosoma mansoni cathepsin B (C01 family) 0.0123 0.1142 0.1067
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0408 0.0327
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0408 0.0327
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0566 0.6369 0.6338
Echinococcus multilocularis cathepsin L cysteine protease 0.0566 0.6369 0.6369
Echinococcus granulosus cathepsin b 0.0873 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0566 0.6369 0.6338
Entamoeba histolytica cysteine proteinase, putative 0.0566 0.6369 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0408 0.0327
Plasmodium vivax serine-repeat antigen (SERA) 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Trypanosoma cruzi cysteine peptidase, putative 0.0566 0.6369 0.6338
Giardia lamblia Cathepsin L precursor 0.0123 0.1142 0.2787
Giardia lamblia Hypothetical protein 0.0123 0.1142 0.2787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.425 0.4201
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0303 0.3261 0.5055
Trypanosoma cruzi cruzipain precursor, putative 0.0179 0.1804 0.1735
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0123 0.1142 0.1684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Onchocerca volvulus Cathepsin F homolog 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0123 0.1142 0.1684
Giardia lamblia Cathepsin L precursor 0.0123 0.1142 0.2787
Schistosoma mansoni hypothetical protein 0.0171 0.1709 0.1639
Onchocerca volvulus Cathepsin L homolog 0.0123 0.1142 0.1684
Brugia malayi cathepsin Z-like cysteine proteinase 0.0123 0.1142 0.1067
Plasmodium falciparum serine repeat antigen 4 0.0123 0.1142 0.1684
Plasmodium falciparum serine repeat antigen 3 0.0123 0.1142 0.1684
Giardia lamblia Encystation-specific protease 0.0123 0.1142 0.2787
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Plasmodium vivax unspecified product 0.0179 0.1804 0.2738
Plasmodium falciparum serine repeat antigen 1 0.0123 0.1142 0.1684
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0123 0.1142 0.1684
Giardia lamblia Cathepsin B precursor 0.0123 0.1142 0.2787
Brugia malayi cathepsin L-like cysteine proteinase 0.0123 0.1142 0.1067
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0355 0.3882 0.6043
Giardia lamblia Cathepsin B precursor 0.0123 0.1142 0.2787
Loa Loa (eye worm) hypothetical protein 0.0179 0.1804 0.1735
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0408 0.0327
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0873 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0123 0.1142 0.1684
Plasmodium falciparum cysteine proteinase falcipain 3 0.0566 0.6369 1
Schistosoma mansoni cathepsin F (C01 family) 0.0386 0.425 0.4201
Giardia lamblia Hypothetical protein 0.0123 0.1142 0.2787
Onchocerca volvulus 0.0566 0.6369 1
Schistosoma mansoni cathepsin S (C01 family) 0.0123 0.1142 0.1067
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0123 0.1142 0.1684
Brugia malayi cathepsin F-like cysteine proteinase 0.0179 0.1804 0.1735
Giardia lamblia Cysteine protease 0.0123 0.1142 0.2787
Brugia malayi Cathepsin L-like precursor 0.0386 0.425 0.4201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0303 0.3261 0.5055
Giardia lamblia Cathepsin L precursor 0.0123 0.1142 0.2787
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0408 0.0327
Echinococcus granulosus cathepsin l1 0.0566 0.6369 0.6338
Trypanosoma cruzi cysteine peptidase, putative 0.0566 0.6369 0.6338
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0084 0.5
Echinococcus multilocularis cysteine protease 0.0566 0.6369 0.6369
Loa Loa (eye worm) hypothetical protein 0.0179 0.1804 0.1735
Onchocerca volvulus 0.0566 0.6369 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.425 0.4201
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0303 0.3261 0.3204
Giardia lamblia Cathepsin L precursor 0.0123 0.1142 0.2787
Brugia malayi Cathepsin L-like precursor 0.0386 0.425 0.4201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0566 0.6369 0.6338
Brugia malayi Cathepsin L-like precursor 0.0566 0.6369 0.6338
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0386 0.425 0.6629
Echinococcus granulosus geminin 0.0171 0.1709 0.1639
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.1142 0.1684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Giardia lamblia Cathepsin B precursor 0.0123 0.1142 0.2787
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0123 0.1142 0.1067
Brugia malayi cathepsin L-like precursor 0.0386 0.425 0.4201
Echinococcus multilocularis pyruvate kinase 0.0034 0.0084 0.0084
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0123 0.1142 0.1067
Plasmodium vivax vivapain-3 0.0303 0.3261 0.5055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Leishmania major cysteine peptidase A (CPA) 0.0566 0.6369 1
Echinococcus granulosus cysteine protease 0.0303 0.3261 0.3204
Onchocerca volvulus 0.0386 0.425 0.6629
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Plasmodium falciparum serine repeat antigen 2 0.0123 0.1142 0.1684
Entamoeba histolytica cysteine proteinase, putative 0.0566 0.6369 1
Loa Loa (eye worm) ctsf protein 0.0566 0.6369 0.6338
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0386 0.425 0.4201
Loa Loa (eye worm) hypothetical protein 0.0566 0.6369 0.6338
Schistosoma mansoni hypothetical protein 0.0171 0.1709 0.1639
Loa Loa (eye worm) hypothetical protein 0.0123 0.1142 0.1067
Echinococcus multilocularis cathepsin L 0.0123 0.1142 0.1142
Schistosoma mansoni cathepsin s 0.0179 0.1804 0.1735
Loa Loa (eye worm) hypothetical protein 0.0873 1 1
Giardia lamblia Cathepsin B precursor 0.0123 0.1142 0.2787
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0123 0.1142 0.1067
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Echinococcus granulosus cathepsin L cysteine protease 0.0303 0.3261 0.3204
Loa Loa (eye worm) hypothetical protein 0.0123 0.1142 0.1067
Brugia malayi TAR-binding protein 0.0061 0.0408 0.0327
Loa Loa (eye worm) hypothetical protein 0.0123 0.1142 0.1067
Chlamydia trachomatis pyruvate kinase 0.0034 0.0084 0.5
Echinococcus granulosus cathepsin L 0.0303 0.3261 0.3204
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0873 1 1
Giardia lamblia Cysteine protease 0.0123 0.1142 0.2787
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0123 0.1142 0.1067
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0123 0.1142 0.2787
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0408 0.0327
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0408 0.0327
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0123 0.1142 0.2787
Entamoeba histolytica cysteine proteinase, putative 0.0303 0.3261 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0123 0.1142 0.1067
Giardia lamblia Cathepsin B precursor 0.0355 0.3882 1
Onchocerca volvulus Cathepsin L homolog 0.0566 0.6369 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0123 0.1142 0.1067
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0123 0.1142 0.1684
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0408 0.0327
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0123 0.1142 0.1067
Plasmodium falciparum serine repeat antigen 6 0.0123 0.1142 0.1684
Brugia malayi Cathepsin L-like precursor 0.0566 0.6369 0.6338
Onchocerca volvulus Cathepsin L homolog 0.0566 0.6369 1
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Echinococcus granulosus cathepsin l cysteine peptidase 0.0566 0.6369 0.6338
Brugia malayi cathepsin L precursor 0.0123 0.1142 0.1067
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0303 0.3261 0.3204
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0355 0.3882 0.383
Trypanosoma cruzi cysteine proteinase, putative 0.0303 0.3261 0.3204
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0123 0.1142 0.1684
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0355 0.3882 0.6043
Onchocerca volvulus 0.0566 0.6369 1
Giardia lamblia Cathepsin L precursor 0.0123 0.1142 0.2787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Onchocerca volvulus 0.0566 0.6369 1
Schistosoma mansoni cathepsin C 0.0123 0.1142 0.1067
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0123 0.1142 0.1067
Brugia malayi Papain family cysteine protease containing protein 0.0303 0.3261 0.3204
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0123 0.1142 0.1067
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0566 0.6369 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0566 0.6369 0.6369
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0123 0.1142 0.1067
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0179 0.1804 0.1735
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Brugia malayi fibroinase precursor 0.0123 0.1142 0.1067
Plasmodium vivax vivapain-2 0.0566 0.6369 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.0408 0.0327
Entamoeba histolytica cysteine proteinase 2 0.0303 0.3261 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0303 0.3261 0.4054
Giardia lamblia Cathepsin B precursor 0.0123 0.1142 0.2787
Echinococcus multilocularis geminin 0.0171 0.1709 0.1709
Schistosoma mansoni cathepsin F (C01 family) 0.0566 0.6369 0.6338
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0566 0.6369 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0303 0.3261 0.5055
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0566 0.6369 0.6338
Brugia malayi Cathepsin L-like precursor 0.0566 0.6369 0.6338
Echinococcus granulosus microtubule associated protein 2 0.0698 0.7926 0.7908
Entamoeba histolytica cysteine protease, putative 0.0566 0.6369 1
Giardia lamblia Cathepsin B precursor 0.0355 0.3882 1
Brugia malayi Papain family cysteine protease containing protein 0.0303 0.3261 0.3204
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0123 0.1142 0.1684
Loa Loa (eye worm) fibroinase 0.0566 0.6369 0.6338
Echinococcus multilocularis pyruvate kinase 0.0034 0.0084 0.0084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0123 0.1142 0.1684
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0566 0.6369 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1804 0.1735
Toxoplasma gondii cathepsin CPC2 0.0123 0.1142 0.1684
Brugia malayi Cathepsin L-like precursor 0.0566 0.6369 0.6338
Trypanosoma cruzi major cysteine proteinase, putative 0.0123 0.1142 0.1067
Echinococcus multilocularis cathepsin L 0.0303 0.3261 0.3261
Toxoplasma gondii cathepsin CPC1 0.0123 0.1142 0.1684
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0123 0.1142 0.1684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0123 0.1142 0.1067
Entamoeba histolytica cysteine protease, putative 0.0303 0.3261 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0123 0.1142 0.1684
Leishmania major cathepsin L-like protease 0.0566 0.6369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Entamoeba histolytica cysteine proteinase, putative 0.0386 0.425 0.5946
Brugia malayi Papain family cysteine protease containing protein 0.0566 0.6369 0.6338
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0566 0.6369 1
Giardia lamblia Cathepsin B precursor 0.0355 0.3882 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0566 0.6369 1
Brugia malayi Papain family cysteine protease containing protein 0.0123 0.1142 0.1067
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0123 0.1142 0.1067
Giardia lamblia Cathepsin L-like protease 0.0123 0.1142 0.2787
Plasmodium vivax vivapain-1 0.0303 0.3261 0.5055
Echinococcus granulosus cathepsin b 0.0873 1 1
Loa Loa (eye worm) cysteine protease 0.0566 0.6369 0.6338

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.797 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.729 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.718 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.628 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.603 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.528 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.517 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.277 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.982 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.887 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
Growth inhibition (functional) = 0 Clonal growth inhibition by the compound at at a concentration of 0.1(microg/mL) in human tumor xenografts in vitro. active, T/C < 30%; activity value is 0/22 ChEMBL. 9986708
Growth inhibition (functional) = 0 Clonal growth inhibition by the compound at at a concentration of 1(microg/mL) in human tumor xenografts in vitro. active, T/C < 30%; activity value is 3/22 ChEMBL. 9986708
Growth inhibition (functional) = 0 Clonal growth inhibition by the compound at at a concentration of 10(microg/mL) in human tumor xenografts in vitro. active, T/C < 30%; activity value is 18/22 ChEMBL. 9986708
IC50 (functional) > -8 In vitro antitumor activity against MCF-7 carcinoma cell line. ChEMBL. 9986708
IC50 (functional) > -7 In vitro antitumor activity against MDA-468 carcinoma cell line. ChEMBL. 9986708
Inhibition (binding) Binding affinity to Mycobacterium smegmatis mc2 155 EthR assessed as protein thermal unfolding at 20 uM by SYPRO Orange dye based thermal shift assay ChEMBL. 22738293
Log IC50 (functional) > -8 M In vitro antitumor activity against MCF-7 carcinoma cell line. ChEMBL. 9986708
Log IC50 (functional) > -7 M In vitro antitumor activity against MDA-468 carcinoma cell line. ChEMBL. 9986708
Mean IC70 (functional) = 3.5 ug ml-1 In vitro concentration of the compound to reduce colony formation of human tumor xenografts to 30% of the control ChEMBL. 9986708
Mean IC70 (functional) = 3.5 ug ml-1 In vitro concentration of the compound to reduce colony formation of human tumor xenografts to 30% of the control ChEMBL. 9986708
Mean log GI50 (functional) = -5.7 M In vitro antitumor activity of the compound against carcinoma cell lines by 2-day assay ChEMBL. 9986708

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 9986708

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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