Detailed information for compound 162231

Basic information

Technical information
  • TDR Targets ID: 162231
  • Name: (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2- yl]-2-(2-naphthalen-2-ylsulfonylethyl)pentana mide
  • MW: 431.588 | Formula: C24H33NO4S
  • H donors: 1 H acceptors: 4 LogP: 4.99 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C[C@@H](NC(=O)[C@H](CC(C)C)CCS(=O)(=O)c1ccc2c(c1)cccc2)CC(C)C
  • InChi: 1S/C24H33NO4S/c1-17(2)13-21(24(27)25-22(16-26)14-18(3)4)11-12-30(28,29)23-10-9-19-7-5-6-8-20(19)15-23/h5-10,15-18,21-22H,11-14H2,1-4H3,(H,25,27)/t21-,22-/m0/s1
  • InChiKey: ZIHDCWGBLPZTRG-VXKWHMMOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-2-[2-(2-naphthylsulfonyl)ethyl]pentanamide
  • (2R)-N-[(1S)-1-formyl-3-methylbutyl]-4-methyl-2-[2-(2-naphthalenylsulfonyl)ethyl]pentanamide
  • (2R)-4-methyl-N-[(2S)-4-methyl-1-oxo-pentan-2-yl]-2-(2-naphthalen-2-ylsulfonylethyl)pentanamide
  • (2R)-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-2-[2-(2-naphthylsulfonyl)ethyl]valeramide
  • (2R)-N-[(1S)-1-formyl-3-methylbutyl]-4-methyl-2-[2-(2-naphthylsulfonyl)ethyl]pentanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin B Starlite/ChEMBL No references
Homo sapiens calpain 1, (mu/I) large subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus calpain A calpain 1, (mu/I) large subunit 714 aa 753 aa 31.7 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis esterase, putative 0.0037 0.0305 0.1204
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0008 0.0009
Brugia malayi Pre-SET motif family protein 0.0031 0.0237 0.0237
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.002 0.0124 0.0568
Loa Loa (eye worm) hypothetical protein 0.0041 0.0345 0.0345
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.1667 0.1667
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Mycobacterium ulcerans beta-lactamase 0.0037 0.0305 0.5
Brugia malayi cathepsin B-like cysteine proteinase 0.0166 0.1667 0.1667
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.002 0.0125 0.0571
Schistosoma mansoni calpain C (C02 family) 0.0025 0.0174 0.0174
Echinococcus granulosus calpain 7 C02 family 0.0025 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0305
Brugia malayi beta-lactamase family protein 0.0037 0.0305 0.0305
Onchocerca volvulus 0.0031 0.0237 0.092
Loa Loa (eye worm) hypothetical protein 0.011 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0186 0.1884 0.1884
Entamoeba histolytica hypothetical protein 0.0028 0.0204 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0011 0.0031 0.0031
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0008 0.0008
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0124 0.0124
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0237 0.0251
Leishmania major phosphatidylinositol 3-related kinase, putative 0.002 0.0124 0.074
Loa Loa (eye worm) hypothetical protein 0.0024 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0008
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.1997
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.002 0.0124 0.0131
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0008 0.0008
Schistosoma mansoni tar DNA-binding protein 0.007 0.0657 0.0657
Brugia malayi DIX domain containing protein 0.0009 0.0008 0.0008
Trypanosoma brucei target of rapamycin kinase 3, putative 0.002 0.0124 0.1777
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0009 0.0004 0.0004
Mycobacterium ulcerans lipase LipD 0.0037 0.0305 0.5
Brugia malayi calpain 7 0.0025 0.0174 0.0174
Schistosoma mansoni hypothetical protein 0.0009 0.0004 0.0004
Echinococcus granulosus geminin 0.0184 0.1856 0.1856
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0055 0.049 0.2808
Echinococcus multilocularis cathepsin b 0.0166 0.1667 0.1761
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0305
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0008 0.0008
Plasmodium vivax cytochrome b 0.0953 1 1
Schistosoma mansoni calpain-7 (C02 family) 0.0025 0.0174 0.0174
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0009 0.0004 0.0004
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.2894
Echinococcus multilocularis GPCR, family 2 0.0035 0.0278 0.0294
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2426 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0008 0.0008
Echinococcus multilocularis calpain family protein 1, d 0.0048 0.0424 0.0448
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.1071 0.1071
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.002 0.0124 0.1777
Schistosoma mansoni hypothetical protein 0.0035 0.0278 0.0278
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0305 0.0305
Schistosoma mansoni tar DNA-binding protein 0.007 0.0657 0.0657
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0305 0.0305
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0008 0.0009
Loa Loa (eye worm) calpain family protein 1 0.0066 0.0608 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0305 0.1204
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0069 0.0639 0.0639
Schistosoma mansoni calpain-7 (C02 family) 0.0025 0.0174 0.0174
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Brugia malayi beta-lactamase 0.0037 0.0305 0.0305
Echinococcus granulosus calpain 5 0.0025 0.0174 0.0174
Schistosoma mansoni cytochrome b 0.0953 1 1
Trichomonas vaginalis set domain proteins, putative 0.0245 0.25 1
Leishmania major hypothetical protein, conserved 0.0037 0.0305 0.5303
Loa Loa (eye worm) hypothetical protein 0.0066 0.0608 0.0608
Echinococcus granulosus calpain A 0.0069 0.0639 0.0639
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.002 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0305
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0278 0.0294
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.0872
Trypanosoma brucei cysteine peptidase C (CPC) 0.0055 0.049 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0305 0.5
Toxoplasma gondii ABC1 family protein 0.0037 0.0305 0.0297
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0278 0.0278
Toxoplasma gondii apocytochrome b, putative 0.0953 1 1
Echinococcus granulosus calpain 0.0025 0.0174 0.0174
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0008 0.0008
Schistosoma mansoni tar DNA-binding protein 0.007 0.0657 0.0657
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0045 0.0164
Loa Loa (eye worm) hypothetical protein 0.0166 0.1667 0.1667
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0008 0.0008
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0008 0.0008
Toxoplasma gondii cathepsin B 0.0055 0.049 0.0483
Echinococcus granulosus GPCR family 2 0.0035 0.0278 0.0278
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0278 0.0278
Brugia malayi calpain family protein 1 0.0066 0.0608 0.0608
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.002 0.0124 0.5386
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.002 0.0124 0.074
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0305 0.1672
Schistosoma mansoni hypothetical protein 0.0035 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0305
Schistosoma mansoni dishevelled 0.0009 0.0008 0.0008
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0305 0.0305
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0305 0.5829
Plasmodium falciparum cytochrome b 0.0953 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0174 0.0872
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Entamoeba histolytica protein kinase, putative 0.0017 0.0095 0.369
Echinococcus multilocularis hypothetical protein 0.0025 0.0174 0.0184
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0009 0.0004 0.0004
Echinococcus multilocularis cathepsin b 0.0166 0.1667 0.1761
Echinococcus granulosus cathepsin b 0.0166 0.1667 0.1667
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0237 0.0237
Brugia malayi N-terminal motif family protein 0.0186 0.1884 0.1884
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0055 0.049 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Brugia malayi RNA binding protein 0.007 0.0657 0.0657
Echinococcus multilocularis geminin 0.0184 0.1856 0.1961
Onchocerca volvulus 0.0041 0.0345 0.1351
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Onchocerca volvulus 0.0037 0.0305 0.1189
Schistosoma mansoni dishevelled 0.0009 0.0008 0.0008
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0008 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Schistosoma mansoni dep domain containing protein 0.0009 0.0008 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0237 0.0237
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0278 0.0278
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0204 0.0204
Leishmania major phosphatidylinositol kinase related protein, putative 0.002 0.0125 0.075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.1071 0.1071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.0237 0.0237
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.002 0.0124 0.5386
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0031 0.0031
Schistosoma mansoni cytochrome b 0.0953 1 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.1997
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0237 0.0237
Brugia malayi MH2 domain containing protein 0.0123 0.1216 0.1216
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0305 0.1204
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0174 0.0872
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Echinococcus multilocularis tar DNA binding protein 0.007 0.0657 0.0695
Loa Loa (eye worm) cytochrome b 0.0953 1 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.0872
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0225 0.0225
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0657 0.0657
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0902 0.9464 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 0.1667 0.1667
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.002 0.0124 0.074
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Echinococcus multilocularis calpain 0.0025 0.0174 0.0184
Echinococcus multilocularis serine protein kinase ATM 0.0028 0.0204 0.0215
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0204 0.1055
Onchocerca volvulus 0.0037 0.0305 0.1189
Schistosoma mansoni hypothetical protein 0.0035 0.0278 0.0278
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.0639 0.0639
Schistosoma mansoni hypothetical protein 0.0184 0.1856 0.1856
Echinococcus granulosus calpain A 0.0025 0.0174 0.0174
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.1667 1
Onchocerca volvulus 0.0037 0.0305 0.1189
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.0608 0.0608
Loa Loa (eye worm) calpain family protein 1 0.0048 0.0424 0.0424
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.2186 0.2186
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.002 0.0124 0.074
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0008 0.0008
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0704 0.0704
Schistosoma mansoni hypothetical protein 0.0035 0.0278 0.0278
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0124 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Loa Loa (eye worm) hypothetical protein 0.0058 0.0529 0.0529
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Loa Loa (eye worm) calpain 0.0025 0.0174 0.0174
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0055 0.049 0.1949
Trypanosoma brucei antigen, putative 0.0025 0.0174 0.2894
Schistosoma mansoni fkbp-rapamycin associated protein 0.0011 0.0031 0.0031
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0028 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0305
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.002 0.0124 0.0124
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0025 0.0174 0.0872
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0305 0.0305
Giardia lamblia Cathepsin B precursor 0.0055 0.049 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0174 0.0872
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0174 0.0872
Loa Loa (eye worm) RNA binding protein 0.007 0.0657 0.0657
Echinococcus granulosus cathepsin b 0.0166 0.1667 0.1667
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0278 0.0278
Mycobacterium ulcerans hypothetical protein 0.0037 0.0305 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.049 0.049
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.002 0.0124 0.1777
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0237 0.0237
Toxoplasma gondii cytochrome b 0.0953 1 1
Brugia malayi calpain family protein 1 0.0066 0.0608 0.0608
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0008 0.0009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0008
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.002 0.0124 0.0568
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0237 0.0251
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0174 0.0872
Brugia malayi hypothetical protein 0.0009 0.0008 0.0008
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0174 0.2894
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.002 0.0124 0.0131
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0657 0.0657
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0204 0.08
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1216 0.1216
Trypanosoma brucei kinesin, putative 0.0017 0.0095 0.112
Giardia lamblia Cathepsin B precursor 0.0055 0.049 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.1667 0.1667
Entamoeba histolytica calpain large subunit domain III containing protein 0.0017 0.0095 0.369
Loa Loa (eye worm) beta-lactamase 0.0037 0.0305 0.0305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.002 0.0124 0.1777
Brugia malayi Pre-SET motif family protein 0.0215 0.2186 0.2186
Loa Loa (eye worm) cathepsin B 0.0055 0.049 0.049
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0305 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0025 0.0174 0.2894
Giardia lamblia Cathepsin B precursor 0.0055 0.049 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.0639 0.0676
Onchocerca volvulus 0.0245 0.25 1
Trypanosoma cruzi kinesin, putative 0.0017 0.0095 0.0389
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1216 0.1216
Trypanosoma cruzi target of rapamycin kinase 3 0.002 0.0124 0.0568
Echinococcus multilocularis calpain 5 0.0025 0.0174 0.0184
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0008
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0013 0.0045 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0305 0.1204
Schistosoma mansoni hypothetical protein 0.0184 0.1856 0.1856
Echinococcus multilocularis calpain 7 (C02 family) 0.0025 0.0174 0.0184
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.1997
Leishmania major phosphatidylinositol 3-kinase, putative 0.002 0.0124 0.074
Schistosoma mansoni tar DNA-binding protein 0.007 0.0657 0.0657
Brugia malayi FAT domain containing protein 0.0009 0.0004 0.0004
Echinococcus granulosus serine protein kinase ATM 0.0028 0.0204 0.0204
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0008 0.0009
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0008 0.0008
Trypanosoma cruzi kinesin, putative 0.0017 0.0095 0.0389
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0124 0.0124
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.0872
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0174 0.2894
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0305 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0305 0.0305
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0278 0.0294
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0031 0.0109
Brugia malayi hypothetical protein 0.0009 0.0008 0.0008
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0278 0.0278
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.1884 0.7529
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.002 0.0124 0.1777
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.002 0.0124 0.0124
Schistosoma mansoni Mername-AA248 (C02 family) 0.0025 0.0174 0.0174
Schistosoma mansoni calpain (C02 family) 0.0025 0.0174 0.0174
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0237 0.0229
Plasmodium vivax SET domain protein, putative 0.0031 0.0237 0.0065
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0174 0.0872
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0008 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0305 0.1672
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0008 0.0008
Toxoplasma gondii FATC domain-containing protein 0.0028 0.0204 0.0196
Mycobacterium leprae Probable lipase LipE 0.0037 0.0305 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Loa Loa (eye worm) calpain 5 0.0017 0.0095 0.0095
Echinococcus multilocularis calpain A 0.0069 0.0639 0.0676
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0174 0.2894
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0008 0.0009
Echinococcus granulosus cytochrome B 0.0953 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0305 0.1204
Schistosoma mansoni hypothetical protein 0.0075 0.0704 0.0704
Loa Loa (eye worm) TAR-binding protein 0.007 0.0657 0.0657
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0124 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0011 0.0031 0.0033
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.1667 0.1667
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0305 0.0322
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0028 0.0204 0.3564
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0008 0.0008
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0237 0.0237
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.0639 0.0639
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0953 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0704 0.0704
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0305 0.5
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.002 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0048 0.0424 0.0424
Brugia malayi calpain 5 0.0017 0.0095 0.0095
Schistosoma mansoni tar DNA-binding protein 0.007 0.0657 0.0657
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0124 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0124 0.0124
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.1071 0.1071
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0174 0.2894
Loa Loa (eye worm) hypothetical protein 0.0013 0.0045 0.0045
Brugia malayi TAR-binding protein 0.007 0.0657 0.0657
Toxoplasma gondii target of rapamycin (TOR), putative 0.002 0.0124 0.0116
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0163 0.0804
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0124 0.0481
Echinococcus granulosus tar DNA binding protein 0.007 0.0657 0.0657
Brugia malayi beta-lactamase family protein 0.0037 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0035 0.0278 0.0278
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0305 0.0133

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 nM Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate. ChEMBL. No reference
IC50 (binding) = 50 nM Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate. ChEMBL. No reference
IC50 (binding) = 150 nM Inhibitory activity of the compound was determined using cysteine protease, Cathepsin B with Cbz-Phe-Arg-AMC as substrate. ChEMBL. No reference
IC50 (binding) = 150 nM Inhibitory activity of the compound was determined using cysteine protease, Cathepsin B with Cbz-Phe-Arg-AMC as substrate. ChEMBL. No reference
Inhibition (binding) = 1 % Inhibitory activity of the compound was determined using serine protease, thrombin with Cbz-Phe-Val-Arg-AMC as substrate. The percent inhibition at 10 microM concentration, was reported. ChEMBL. No reference
Inhibition (binding) = 1 % Inhibitory activity of the compound was determined using serine protease, thrombin with Cbz-Phe-Val-Arg-AMC as substrate. The percent inhibition at 10 microM concentration, was reported. ChEMBL. No reference
Inhibition (binding) = 11 % Inhibitory activity of the compound was determined using serine protease, alpha-chymotrypsin with Succ-Ala-Ala-Pro-Phe-AMC as substrate. The percent inhibition at 10 microM concentration, was reported. ChEMBL. No reference
Inhibition (binding) = 11 % Inhibitory activity of the compound was determined using serine protease, alpha-chymotrypsin with Succ-Ala-Ala-Pro-Phe-AMC as substrate. The percent inhibition at 10 microM concentration, was reported. 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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