Detailed information for compound 1648909

Basic information

Technical information
  • TDR Targets ID: 1648909
  • Name: tert-butyl N-(3-phenyl-1-pyrrolidin-1-yl-1-su lfanylidenepropan-2-yl)carbamate
  • MW: 334.476 | Formula: C18H26N2O2S
  • H donors: 1 H acceptors: 1 LogP: 3.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(C(Cc1ccccc1)NC(=O)OC(C)(C)C)N1CCCC1
  • InChi: 1S/C18H26N2O2S/c1-18(2,3)22-17(21)19-15(13-14-9-5-4-6-10-14)16(23)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,19,21)
  • InChiKey: HTBOVAIZEKLASI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • tert-butyl N-[1-(phenylmethyl)-2-pyrrolidin-1-yl-2-thioxo-ethyl]carbamate
  • N-[1-(phenylmethyl)-2-1-pyrrolidinyl-2-thioxoethyl]carbamic acid tert-butyl ester
  • N-[1-(benzyl)-2-pyrrolidin-1-yl-2-thioxo-ethyl]carbamic acid tert-butyl ester
  • tert-butyl N-(3-phenyl-1-pyrrolidin-1-yl-1-sulfanylidene-propan-2-yl)carbamate
  • NSC644198
  • tert-Butyl 1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethylcarbamate
  • NCI60_014972
  • AIDS-138084
  • AIDS138084

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) calmodulin-like protein 0.0056 0.0033 0.0033
Schistosoma mansoni cathepsin F (C01 family) 0.006 0.0069 0.0053
Brugia malayi calcium-binding protein 0.0056 0.0033 0.0033
Brugia malayi EF hand family protein 0.0056 0.0033 0.0033
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.7639
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.2307
Schistosoma mansoni rab 0.0056 0.0033 0.0017
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0387 0.3026 0.3014
Trypanosoma cruzi calmodulin, putative 0.0056 0.0033 0.0017
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0903 0.7688 0.7685
Entamoeba histolytica calmodulin, putative 0.0056 0.0033 0.0105
Plasmodium vivax calpain, putative 0.0309 0.2319 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.0038 0.0133
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1158 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0072 0.0183 0.0183
Brugia malayi cathepsin L-like precursor 0.006 0.0069 0.0069
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0072 0.0183 0.6847
Entamoeba histolytica EF-hand calcium-binding domain containing protein 0.0056 0.0033 0.0105
Onchocerca volvulus 0.0056 0.0038 0.001
Trichomonas vaginalis calcium binding protein, putative 0.0056 0.0033 0.0055
Giardia lamblia Cathepsin B precursor 0.0387 0.3026 1
Entamoeba histolytica cysteine proteinase, putative 0.0072 0.0183 0.1057
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0072 0.0183 0.0166
Echinococcus multilocularis cathepsin b 0.1158 1 1
Loa Loa (eye worm) hypothetical protein 0.0766 0.6452 0.6452
Trypanosoma brucei mitochondrial calcium uptake 1 0.0056 0.0033 0.0055
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma brucei calpain-like protein, putative 0.0309 0.2319 0.7652
Loa Loa (eye worm) hypothetical protein 0.0538 0.4392 0.4392
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0259 0.0806
Leishmania major hypothetical protein, conserved 0.0056 0.0038 0.0015
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0309 0.2319 0.2307
Echinococcus granulosus neurocalcin 0.0056 0.0033 0.0017
Echinococcus multilocularis calbindin 32 0.0056 0.0038 0.0021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1158 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Trypanosoma cruzi I/6 autoantigen, putative 0.0056 0.0033 0.0017
Brugia malayi calpain family protein 1 0.0847 0.7183 0.7183
Toxoplasma gondii calmodulin CAM1 0.0056 0.0038 0.0015
Echinococcus multilocularis cathepsin L cysteine protease 0.0072 0.0183 0.0166
Plasmodium vivax centrin-1, putative 0.0056 0.0033 0.0072
Brugia malayi Cathepsin L-like precursor 0.0072 0.0183 0.0183
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Echinococcus granulosus tumor protein p63 0.0354 0.2727 0.2715
Echinococcus multilocularis EF hand domain containing family member A2 0.0056 0.0033 0.0017
Trichomonas vaginalis calpain, putative 0.0081 0.0259 0.0806
Echinococcus granulosus neuronal calcium sensor 0.0056 0.0033 0.0017
Schistosoma mansoni calpain-2 (C02 family) 0.0081 0.0259 0.0243
Trypanosoma brucei hypothetical protein 0.0081 0.0259 0.0806
Trypanosoma cruzi calmodulin, putative 0.0056 0.0033 0.0017
Brugia malayi calpain 5 0.0081 0.0259 0.0259
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative 0.0056 0.0033 0.0017
Echinococcus multilocularis calpain A 0.0903 0.7693 0.7689
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0243
Brugia malayi Cathepsin L-like precursor 0.0072 0.0183 0.0183
Echinococcus multilocularis cysteine protease 0.0072 0.0183 0.0166
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 33 0.0056 0.0038 0.0021
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma brucei calpain-like protein, putative 0.0309 0.2319 0.7652
Trypanosoma brucei kinesin, putative 0.0228 0.1588 0.5222
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Schistosoma mansoni centrin-related 0.0056 0.0033 0.0017
Entamoeba histolytica grainin, putative 0.0056 0.0038 0.0133
Onchocerca volvulus 0.0072 0.0183 0.0343
Brugia malayi Cathepsin L-like precursor 0.0072 0.0183 0.0183
Echinococcus multilocularis EF HAND 1, calcium binding site 0.0056 0.0033 0.0017
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0387 0.3026 0.3014
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Loa Loa (eye worm) hypothetical protein 0.0072 0.0183 0.0183
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Brugia malayi Cathepsin L-like precursor 0.006 0.0069 0.0069
Onchocerca volvulus 0.0072 0.0183 0.0343
Trichomonas vaginalis Crustacean calcium-binding protein, putative 0.0056 0.0033 0.0055
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma cruzi centrin, putative 0.0081 0.0264 0.0248
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0081 0.0259 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Trichomonas vaginalis calpain, putative 0.0081 0.0259 0.0806
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0056 0.0033 0.0072
Leishmania major cathepsin L-like protease 0.0072 0.0183 0.05
Trichomonas vaginalis centrin, putative 0.0056 0.0033 0.0055
Trypanosoma brucei centrin, putative 0.0056 0.0033 0.0055
Entamoeba histolytica calcium-binding protein, putative 0.0056 0.0033 0.0105
Leishmania major cathepsin L-like protease 0.0072 0.0183 0.05
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0259 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Plasmodium falciparum cysteine proteinase falcipain 3 0.0072 0.0183 0.6847
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0658 0.0658
Echinococcus granulosus cathepsin L cysteine proteinase 0.0072 0.0183 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0072 0.0183 0.0552
Echinococcus granulosus cathepsin b 0.1158 1 1
Trypanosoma cruzi kinesin, putative 0.0228 0.1588 0.1574
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0259 0.0806
Trypanosoma cruzi programmed cell death 6 protein-like, putative 0.0056 0.0033 0.0017
Schistosoma mansoni calmodulin 0.0056 0.0033 0.0017
Echinococcus granulosus calcium uptake protein 1 0.0056 0.0038 0.0021
Trichomonas vaginalis hypothetical protein 0.0081 0.0259 0.0806
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0387 0.3026 1
Brugia malayi Cathepsin L-like precursor 0.0072 0.0183 0.0183
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.7639
Plasmodium vivax vivapain-2 0.0072 0.0183 0.0721
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Brugia malayi Papain family cysteine protease containing protein 0.0054 0.0017 0.0017
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0658 0.0658
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.2307
Trichomonas vaginalis DNA-dependent protein kinase catalytic subunit-interacting protein, putative 0.0056 0.0033 0.0055
Echinococcus multilocularis calmodulin 0.0056 0.0033 0.0017
Schistosoma mansoni hypothetical protein 0.0056 0.0033 0.0017
Onchocerca volvulus 0.0072 0.0183 0.0343
Toxoplasma gondii cathepsin B 0.0387 0.3026 1
Brugia malayi Cathepsin L-like precursor 0.0072 0.0183 0.0183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0309 0.2319 0.2307
Trypanosoma brucei Calpain-like protein 1.2 0.0081 0.0259 0.0806
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1158 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0069 0.0069
Trichomonas vaginalis calmodulin, putative 0.0056 0.0038 0.007
Toxoplasma gondii calcium-dependent protein kinase 0.0056 0.0038 0.0015
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Entamoeba histolytica calmodulin, putative 0.0056 0.0033 0.0105
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Leishmania major cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0259 0.0806
Loa Loa (eye worm) hypothetical protein 0.0081 0.0259 0.0259
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0259 0.0806
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma brucei cysteine peptidase, putative 0.0081 0.0259 0.0806
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Schistosoma mansoni mitochondrial solute carrier 0.0056 0.0033 0.0017
Schistosoma mansoni calcium binding atopy-related autoantigen 0.0056 0.0038 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0033 0.0055
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma cruzi conserved protein 0.0081 0.0259 0.0243
Trichomonas vaginalis calmodulin, putative 0.0081 0.0264 0.0823
Brugia malayi Calmodulin-like protein 0.0056 0.0033 0.0033
Echinococcus granulosus cathepsin l1 0.0072 0.0183 0.0166
Echinococcus multilocularis neuronal calcium sensor 0.0056 0.0033 0.0017
Schistosoma mansoni cathepsin F (C01 family) 0.0072 0.0183 0.0166
Trypanosoma brucei Calpain-like protein 2 0.0081 0.0259 0.0806
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.0069 0.0176
Schistosoma mansoni reticulocalbin 0.0056 0.0033 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 33 0.0056 0.0033 0.0017
Trypanosoma brucei calmodulin, putative 0.0056 0.0038 0.007
Toxoplasma gondii hypothetical protein 0.0081 0.0259 0.0755
Trypanosoma brucei antigen, putative 0.0309 0.2319 0.7652
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma cruzi caltractin, putative 0.0056 0.0033 0.0017
Schistosoma mansoni neuronal calcium sensor 0.0056 0.0033 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0387 0.3026 1
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0081 0.0259 0.0755
Loa Loa (eye worm) calpain 0.0309 0.2319 0.2319
Echinococcus multilocularis cysteine protease 0.0072 0.0183 0.0166
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Echinococcus granulosus calpain A 0.0309 0.2319 0.2307
Echinococcus multilocularis cathepsin b 0.1158 1 1
Leishmania major cathepsin L-like protease 0.0118 0.0595 0.1878
Trypanosoma brucei protein I/6 0.0056 0.0033 0.0055
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Brugia malayi Cathepsin L-like cysteine proteinase 0.006 0.0069 0.0069
Plasmodium falciparum calpain 0.0081 0.0259 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0087 0.0316 0.03
Trypanosoma brucei calpain-like protein, putative 0.0309 0.2319 0.7652
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0072 0.0183 0.0166
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0903 0.7688 0.7685
Loa Loa (eye worm) hypothetical protein 0.006 0.0069 0.0069
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0259 0.0806
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.0069 0.0176
Trypanosoma brucei calpain, putative 0.0081 0.0259 0.0806
Schistosoma mansoni Mername-AA248 (C02 family) 0.0309 0.2319 0.2307
Entamoeba histolytica cysteine proteinase, putative 0.0072 0.0183 0.1057
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0309 0.2319 0.7652
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Onchocerca volvulus 0.0072 0.0183 0.0343
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0903 0.7688 0.7685
Echinococcus granulosus programmed cell death protein 0.0081 0.0264 0.0248
Loa Loa (eye worm) hypothetical protein 0.1158 1 1
Trichomonas vaginalis calcium binding protein, putative 0.0056 0.0033 0.0055
Trichomonas vaginalis myosin light chain 1, putative 0.0056 0.0033 0.0055
Leishmania major cathepsin L-like protease 0.0072 0.0183 0.05
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0183 0.0166
Trypanosoma brucei cysteine peptidase C (CPC) 0.0387 0.3026 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0106 0.0482 0.0466
Loa Loa (eye worm) fibroinase 0.0072 0.0183 0.0183
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative 0.0056 0.0033 0.0017
Leishmania major calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma brucei caltractin, putative 0.0081 0.0264 0.0823
Trypanosoma cruzi centrin, putative 0.0081 0.0264 0.0248
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0847 0.7183 0.7178
Entamoeba histolytica protein kinase, putative 0.0228 0.1588 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Trichomonas vaginalis calmodulin-2, putative 0.0056 0.0033 0.0055
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma brucei calpain-like protein, putative 0.0309 0.2319 0.7652
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Trypanosoma cruzi centrin-3 0.0081 0.0264 0.0248
Leishmania major calpain protease-like protein 0.0081 0.0259 0.0755
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.0081 0.0259 0.0806
Trypanosoma brucei calpain, putative 0.0081 0.0259 0.0806
Brugia malayi calpain 7 0.0309 0.2319 0.2319
Onchocerca volvulus 0.0072 0.0183 0.0343
Brugia malayi MH2 domain containing protein 0.0125 0.0658 0.0658
Entamoeba histolytica EF-hand calcium-binding domain containing protein 0.0056 0.0033 0.0105
Echinococcus granulosus cathepsin l cysteine peptidase 0.0072 0.0183 0.0166
Trypanosoma cruzi cysteine peptidase, putative 0.0118 0.0595 0.0579
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.2307
Echinococcus granulosus centrin 2 0.0056 0.0033 0.0017
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Echinococcus multilocularis calmodulin 0.0056 0.0033 0.0017
Brugia malayi Cathepsin L-like precursor 0.006 0.0069 0.0069
Loa Loa (eye worm) EF hand family protein 0.0056 0.0033 0.0033
Trypanosoma cruzi kinesin, putative 0.0228 0.1588 0.1574
Echinococcus multilocularis centrin 2 0.0056 0.0033 0.0017
Schistosoma mansoni reticulocalbin 0.0056 0.0038 0.0021
Trypanosoma brucei CAMK/CAMKL family protein kinase, putative 0.0056 0.0033 0.0055
Loa Loa (eye worm) programmed cell death protein 6 0.0056 0.0038 0.0038
Schistosoma mansoni calmodulin 0.0056 0.0033 0.0017
Trichomonas vaginalis calcium binding proteins, putative 0.0056 0.0033 0.0055
Schistosoma mansoni neuronal calcium sensor 0.0056 0.0033 0.0017
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Loa Loa (eye worm) hypothetical protein 0.0847 0.7183 0.7183
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0072 0.0183 0.0183
Loa Loa (eye worm) calpain family protein 1 0.0847 0.7183 0.7183
Trichomonas vaginalis calcium binding protein, putative 0.0081 0.0264 0.0823
Trypanosoma cruzi calmodulin, putative 0.0056 0.0033 0.0017
Trypanosoma cruzi cruzipain precursor, putative 0.0118 0.0595 0.0579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Leishmania major cathepsin L-like protease 0.0072 0.0183 0.05
Brugia malayi calpain D 0.0081 0.0259 0.0259
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0309 0.2319 0.2307
Trypanosoma brucei centrin-3 0.0081 0.0264 0.0823
Echinococcus granulosus EF hand domain containing family member A2 0.0056 0.0033 0.0017
Entamoeba histolytica calcium binding family protein 0.0056 0.0033 0.0105
Onchocerca volvulus 0.006 0.0069 0.0083
Schistosoma mansoni calpain-7 (C02 family) 0.0309 0.2319 0.2307
Schistosoma mansoni hypothetical protein 0.0056 0.0033 0.0017
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.2307
Entamoeba histolytica calpain family cysteine protease, putative 0.0081 0.0259 0.1543
Onchocerca volvulus Cathepsin L homolog 0.0072 0.0183 0.0343
Schistosoma mansoni neuronal calcium sensor 0.0056 0.0033 0.0017
Loa Loa (eye worm) hypothetical protein 0.0619 0.5123 0.5123
Echinococcus multilocularis calumenin 0.0056 0.0038 0.0021
Echinococcus granulosus calpain A 0.0903 0.7693 0.7689
Brugia malayi Papain family cysteine protease containing protein 0.0054 0.0017 0.0017
Echinococcus multilocularis tumor protein p63 0.0354 0.2727 0.2715
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0243
Schistosoma mansoni calpain C (C02 family) 0.0309 0.2319 0.2307
Trichomonas vaginalis calcium binding protein, putative 0.0056 0.0033 0.0055
Trypanosoma cruzi cysteine peptidase, putative 0.0118 0.0595 0.0579
Echinococcus multilocularis cathepsin L cysteine protease 0.0072 0.0183 0.0166
Onchocerca volvulus 0.0072 0.0183 0.0343
Echinococcus multilocularis EF hand domain containing family member A2 0.0056 0.0038 0.0021
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0243
Echinococcus granulosus calpain 5 0.0309 0.2319 0.2307
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Brugia malayi programmed cell death protein 6 0.0056 0.0033 0.0033
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0903 0.7688 0.7685
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0806
Onchocerca volvulus Cathepsin L homolog 0.0072 0.0183 0.0343
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Giardia lamblia Cathepsin B precursor 0.0387 0.3026 1
Schistosoma mansoni calpain (C02 family) 0.0309 0.2319 0.2307
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Echinococcus multilocularis neurocalcin 0.0056 0.0033 0.0017
Trypanosoma brucei Calpain-like protein CALP1.3 0.0081 0.0259 0.0806
Schistosoma mansoni centrin 0.0056 0.0033 0.0017
Entamoeba histolytica grainin 2 0.0081 0.0264 0.1576
Loa Loa (eye worm) hypothetical protein 0.0056 0.0033 0.0033
Brugia malayi EF hand family protein 0.0056 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0081 0.0259 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Echinococcus multilocularis hypothetical protein 0.0309 0.2319 0.2307
Echinococcus granulosus EF hand domain containing family member A2 0.0056 0.0038 0.0021
Loa Loa (eye worm) cathepsin B 0.0387 0.3026 0.3026
Leishmania major cathepsin L-like protease 0.0118 0.0595 0.1878
Onchocerca volvulus Cathepsin F homolog 0.0072 0.0183 0.0343
Trichomonas vaginalis calcineurin B subunit, putative 0.0056 0.0038 0.007
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1158 1 1
Onchocerca volvulus 0.0538 0.4392 1
Leishmania major cysteine peptidase A (CPA) 0.0072 0.0183 0.05
Loa Loa (eye worm) calpain D 0.0081 0.0259 0.0259
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Trypanosoma cruzi cysteine peptidase, putative 0.0118 0.0595 0.0579
Echinococcus multilocularis calpain 7 (C02 family) 0.0309 0.2319 0.2307
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Trypanosoma brucei I/6 autoantigen 0.0056 0.0033 0.0055
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Echinococcus multilocularis programmed cell death protein 0.0081 0.0264 0.0248
Toxoplasma gondii cathepsin CPL 0.0072 0.0183 0.05
Echinococcus multilocularis calpain 5 0.0309 0.2319 0.2307
Echinococcus multilocularis calcium uptake protein 1 0.0056 0.0038 0.0021
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0259 0.0806
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Loa Loa (eye worm) calpain 5 0.0228 0.1588 0.1588
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0243
Schistosoma mansoni neuronal calcium sensor 0.0056 0.0033 0.0017
Leishmania major hypothetical protein, conserved 0.0081 0.0259 0.0755
Schistosoma mansoni ef hand domain family member A2 0.0056 0.0033 0.0017
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Schistosoma mansoni Sarcoplasmic calcium-binding protein (SCP). 0.0056 0.0033 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0806
Giardia lamblia Cathepsin B precursor 0.0387 0.3026 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Echinococcus granulosus calpain 0.0309 0.2319 0.2307
Echinococcus granulosus cathepsin l1 0.006 0.0069 0.0053
Leishmania major cathepsin L-like protease 0.0118 0.0595 0.1878
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0309 0.2319 0.2307
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Echinococcus multilocularis programmed cell death protein 0.0081 0.0264 0.0248
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0072 0.0183 0.6847
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0259 0.0806
Echinococcus granulosus calpain 7 C02 family 0.0309 0.2319 0.2307
Brugia malayi Cathepsin L-like precursor 0.0072 0.0183 0.0183
Echinococcus granulosus calbindin 32 0.0056 0.0038 0.0021
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0309 0.2319 0.2307
Echinococcus multilocularis sarcoplasmic calcium binding protein 0.0056 0.0033 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0806
Trypanosoma cruzi I/6 autoantigen, putative 0.0056 0.0033 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0259 0.0243
Entamoeba histolytica calpain large subunit domain III containing protein 0.0228 0.1588 1
Trypanosoma brucei Calpain-like protein 1.1 0.0081 0.0259 0.0806
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Schistosoma mansoni calmodulin related calcium binding protein 0.0056 0.0033 0.0017
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.7639
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0259 0.0243
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Onchocerca volvulus 0.0072 0.0183 0.0343
Brugia malayi calpain family protein 1 0.0847 0.7183 0.7183
Echinococcus multilocularis calpain 0.0309 0.2319 0.2307
Loa Loa (eye worm) calpain family protein 1 0.0619 0.5123 0.5123
Echinococcus granulosus EF HAND 1 calcium binding site 0.0056 0.0033 0.0017
Leishmania major hypothetical protein, unknown function 0.0081 0.0259 0.0755
Echinococcus multilocularis calpain family protein 1, d 0.0619 0.5123 0.5115
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0755
Echinococcus granulosus cathepsin b 0.1158 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0072 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.006 0.0069 0.0069
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0309 0.2319 0.7652
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 33 0.0056 0.0033 0.0055
Leishmania major calpain family cysteine protease-like protein 0.0081 0.0259 0.0755
Plasmodium falciparum centrin-1 0.0056 0.0033 0.0682
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0309 0.2319 0.2307
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0259 0.0243
Loa Loa (eye worm) ctsf protein 0.0072 0.0183 0.0183
Plasmodium vivax vivapain-2 0.0072 0.0183 0.0721
Loa Loa (eye worm) hypothetical protein 0.0056 0.0033 0.0033
Schistosoma mansoni cathepsin F (C01 family) 0.0072 0.0183 0.0166
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0243
Plasmodium vivax hypothetical protein, conserved 0.0056 0.0038 0.0091
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1158 1 1
Entamoeba histolytica cysteine protease, putative 0.0072 0.0183 0.1057
Trichomonas vaginalis calmodulin, putative 0.0056 0.0033 0.0055
Loa Loa (eye worm) cysteine protease 0.0072 0.0183 0.0183
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0033 0.0055
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0081 0.0259 0.0806
Trichomonas vaginalis calcineurin B subunit, putative 0.0056 0.0033 0.0055
Echinococcus granulosus calumenin 0.0056 0.0038 0.0021
Leishmania major kinesin, putative 0.0228 0.1588 0.5196
Trypanosoma brucei Component of motile flagella 41 0.0056 0.0033 0.0055
Echinococcus granulosus calmodulin 0.0056 0.0033 0.0017
Trypanosoma brucei hypothetical protein, conserved 0.0056 0.0033 0.0055
Trichomonas vaginalis calpain, putative 0.0081 0.0259 0.0806
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma cruzi mitochondrial calcium uptake 1, putative 0.0056 0.0033 0.0017
Trypanosoma brucei centrin, putative 0.0056 0.0033 0.0055
Leishmania major cathepsin L-like protease 0.0072 0.0183 0.05
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0072 0.0183 0.0552
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 0.0595 0.1922
Entamoeba histolytica cysteine proteinase, putative 0.006 0.0069 0.0336
Trypanosoma brucei calmodulin, putative 0.0056 0.0033 0.0055
Schistosoma mansoni calpain-7 (C02 family) 0.0309 0.2319 0.2307
Trichomonas vaginalis centrin, putative 0.0056 0.0033 0.0055
Echinococcus granulosus sarcoplasmic calcium binding protein 0.0056 0.0033 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0259 0.0806
Brugia malayi calpain 5 0.0228 0.1588 0.1588

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.499 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) -4.394 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
GI50 (functional) -4.312 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) -4.244 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) -4.048 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) -4 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) -4 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 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) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.