Detailed information for compound 204370

Basic information

Technical information
  • TDR Targets ID: 204370
  • Name: benzyl N-[1-[[1,2-dioxo-1-(phenethylamino)pen tan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]car bamate
  • MW: 481.584 | Formula: C27H35N3O5
  • H donors: 3 H acceptors: 4 LogP: 4.62 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)C(=O)NCCc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C
  • InChi: 1S/C27H35N3O5/c1-4-22(24(31)26(33)28-16-15-20-11-7-5-8-12-20)29-25(32)23(17-19(2)3)30-27(34)35-18-21-13-9-6-10-14-21/h5-14,19,22-23H,4,15-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
  • InChiKey: QDIFXVWJRNFSAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • benzyl N-[1-[[1-ethyl-2,3-dioxo-3-(phenethylamino)propyl]carbamoyl]-3-methyl-butyl]carbamate
  • N-[1-[[[1-ethyl-2,3-dioxo-3-(phenethylamino)propyl]amino]-oxomethyl]-3-methylbutyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-[[1,2-dioxo-1-(phenethylamino)pentan-3-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
  • N-[1-[[1-ethyl-2,3-diketo-3-(phenethylamino)propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-[[1,2-dioxo-1-(2-phenylethylamino)pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
  • phenylmethyl N-[1-[[1-ethyl-2,3-dioxo-3-(2-phenylethylamino)propyl]carbamoyl]-3-methyl-butyl]carbamate
  • N-[1-[[[1-ethyl-2,3-dioxo-3-(2-phenylethylamino)propyl]amino]-oxomethyl]-3-methylbutyl]carbamic acid phenylmethyl ester
  • N-[1-[[1-ethyl-2,3-diketo-3-(2-phenylethylamino)propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-[[1,2-dioxo-1-(2-phenylethylamino)pentan-3-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calpain 2, (m/II) large subunit Starlite/ChEMBL References
Homo sapiens cathepsin B Starlite/ChEMBL References
Homo sapiens calpain 1, (mu/I) large subunit References
Homo sapiens calpain, small subunit 1 Starlite/ChEMBL References
Bos taurus Cathepsin B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Cathepsin B-like protease (Precursor), related 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 calpain family protein 1, d 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
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
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) calpain family protein 1 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
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 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
Giardia lamblia Cathepsin B precursor 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 SmCB2 peptidase (C01 family) 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
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Toxoplasma gondii cathepsin B 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
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis 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
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 brucei cysteine peptidase C (CPC) 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
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
Brugia malayi cathepsin B-like cysteine proteinase 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
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
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
Onchocerca volvulus 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
Giardia lamblia Cathepsin B precursor 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 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
Leishmania donovani 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
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 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
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 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
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative 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
Echinococcus granulosus calpain A 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
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
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 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 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
Loa Loa (eye worm) cathepsin B 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative Cathepsin B   335 aa 351 aa 28.5 %
Toxoplasma gondii cathepsin CPC1 Cathepsin B   335 aa 296 aa 28.7 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 272 aa 25.0 %
Giardia lamblia Cathepsin L precursor Cathepsin B   335 aa 280 aa 25.0 %
Onchocerca volvulus Cathepsin B   335 aa 326 aa 34.7 %
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) Cathepsin B   335 aa 275 aa 32.7 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 289 aa 22.8 %
Plasmodium knowlesi knowpain-3 Cathepsin B   335 aa 301 aa 22.6 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 24.4 %
Babesia bovis cathepsin C precursor, putative Cathepsin B   335 aa 305 aa 25.9 %
Plasmodium berghei dipeptidyl aminopeptidase 2 Cathepsin B   335 aa 311 aa 22.5 %
Dictyostelium discoideum cathepsin L-like proteinase Cathepsin B   335 aa 322 aa 26.4 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Brugia malayi Cathepsin L-like precursor Cathepsin B   335 aa 312 aa 25.0 %
Onchocerca volvulus Cathepsin B-like cysteine proteinase 6 homolog Cathepsin B   335 aa 315 aa 49.2 %
Plasmodium knowlesi knowpain-4 Cathepsin B   335 aa 304 aa 25.3 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 297 aa 23.6 %
Plasmodium knowlesi dipeptidyl aminopeptidase 2, putative Cathepsin B   335 aa 297 aa 24.6 %
Neospora caninum hypothetical protein Cathepsin B   335 aa 303 aa 28.4 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin B   335 aa 276 aa 25.7 %
Echinococcus granulosus calpain A calpain 2, (m/II) large subunit 622 aa 663 aa 31.2 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 272 aa 24.6 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin B   335 aa 276 aa 26.1 %
Plasmodium vivax dipeptidyl aminopeptidase 2, putative Cathepsin B   335 aa 286 aa 26.6 %
Plasmodium yoelii cathepsin c precursor Cathepsin B   335 aa 313 aa 25.2 %
Plasmodium falciparum dipeptidyl aminopeptidase 2 Cathepsin B   335 aa 312 aa 23.7 %
Dictyostelium discoideum cysteine proteinase 5 precursor Cathepsin B   335 aa 271 aa 24.4 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 297 aa 23.6 %
Toxoplasma gondii preprocathepsin c precursor, putative Cathepsin B   335 aa 272 aa 24.3 %
Onchocerca volvulus Cathepsin L homolog Cathepsin B   335 aa 316 aa 25.6 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 270 aa 25.2 %
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Cathepsin B   335 aa 288 aa 26.4 %
Schistosoma japonicum Cathepsin C precursor, putative Cathepsin B   335 aa 289 aa 28.4 %
Echinococcus granulosus calpain A calpain 1, (mu/I) large subunit 714 aa 753 aa 31.7 %
Dictyostelium discoideum cysteine proteinase 3 Cathepsin B   335 aa 275 aa 28.7 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 25.1 %
Plasmodium knowlesi knowpain-2 Cathepsin B   335 aa 308 aa 23.1 %
Plasmodium berghei dipeptidyl aminopeptidase 1, putative Cathepsin B   335 aa 313 aa 25.6 %
Onchocerca volvulus Cathepsin B   335 aa 275 aa 24.7 %
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Cathepsin B   335 aa 287 aa 25.1 %
Cryptosporidium hominis preprocathepsin c precursor Cathepsin B   335 aa 280 aa 25.7 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 25.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0109 0.1782 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0109 0.1782 0.2121
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Echinococcus multilocularis cathepsin b 0.0332 0.8402 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.8402 0.8402
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0142 0.2738 0.3259
Loa Loa (eye worm) cathepsin B 0.0109 0.1782 0.2121
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0132 0.2442 0.2442
Onchocerca volvulus 0.0082 0.0963 0.2328
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0142 0.2738 0.2738
Brugia malayi Animal haem peroxidase family protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) calpain family protein 1 0.0097 0.1408 0.1675
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Trypanosoma brucei cysteine peptidase C (CPC) 0.0109 0.1782 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Echinococcus granulosus peroxidasin 0.0104 0.1626 0.1935
Loa Loa (eye worm) blistered cuticle protein 3 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0142 0.2738 0.3259
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0332 0.8402 1
Brugia malayi Animal haem peroxidase family protein 0.0104 0.1626 0.1935
Echinococcus multilocularis calpain family protein 1, d 0.0097 0.1408 0.1675
Brugia malayi hypothetical protein 0.0104 0.1626 0.1935
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0075 0.0762 0.0906
Echinococcus multilocularis high affinity choline transporter 1 0.0075 0.0762 0.0906
Brugia malayi calpain family protein 1 0.0132 0.2442 0.2906
Onchocerca volvulus Peroxidase homolog 0.0104 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0142 0.2738 0.2738
Echinococcus multilocularis calpain A 0.0142 0.2746 0.3269
Onchocerca volvulus Peroxidase homolog 0.0104 0.1626 1
Brugia malayi Blistered cuticle protein 3 0.0104 0.1626 0.1935
Echinococcus granulosus sodium:glucose cotransporter 0.0075 0.0762 0.0906
Echinococcus granulosus sodium:myo inositol cotransporter 0.0075 0.0762 0.0906
Schistosoma mansoni inositol transporter 0.0075 0.0762 0.0762
Loa Loa (eye worm) animal heme peroxidase 0.0104 0.1626 0.1935
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0075 0.0762 0.0906
Echinococcus multilocularis peroxidasin 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Brugia malayi Animal haem peroxidase family protein 0.0104 0.1626 0.1935
Onchocerca volvulus 0.0104 0.1626 1
Brugia malayi GH02984p 0.0075 0.0762 0.0906
Onchocerca volvulus 0.0104 0.1626 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.8402 0.8402
Echinococcus granulosus cathepsin b 0.0332 0.8402 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0332 0.8402 1
Echinococcus granulosus cathepsin b 0.0332 0.8402 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0109 0.1782 0.1782
Loa Loa (eye worm) hypothetical protein 0.0082 0.0963 0.1146
Schistosoma mansoni peroxidasin 0.0104 0.1626 0.1626
Giardia lamblia Cathepsin B precursor 0.0109 0.1782 0.5
Echinococcus granulosus solute carrier family 5 0.0075 0.0762 0.0906
Schistosoma mansoni peroxidasin 0.0104 0.1626 0.1626
Loa Loa (eye worm) calpain family protein 1 0.0132 0.2442 0.2906
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0109 0.1782 1
Brugia malayi calpain family protein 1 0.0132 0.2442 0.2906
Loa Loa (eye worm) hypothetical protein 0.0332 0.8402 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.1997 0.2377
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Plasmodium vivax calpain, putative 0.005 0 0.5
Brugia malayi Peroxidasin 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Schistosoma mansoni sodium/solute symporter 0.0075 0.0762 0.0762
Onchocerca volvulus 0.0104 0.1626 1
Echinococcus granulosus high affinity choline transporter 1 0.0075 0.0762 0.0906
Loa Loa (eye worm) hypothetical protein 0.0132 0.2442 0.2906
Onchocerca volvulus Chorion peroxidase homolog 0.0104 0.1626 1
Schistosoma mansoni inositol transporter 0.0075 0.0762 0.0762
Giardia lamblia Cathepsin B precursor 0.0109 0.1782 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0762 0.0906
Giardia lamblia Cathepsin B precursor 0.0109 0.1782 0.5
Brugia malayi Animal haem peroxidase family protein 0.0104 0.1626 0.1935
Onchocerca volvulus Peroxidasin homolog 0.0104 0.1626 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0332 0.8402 0.8402
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0075 0.0762 0.0906
Echinococcus granulosus sodium:glucose cotransporter 2 0.0075 0.0762 0.0906
Echinococcus multilocularis cathepsin b 0.0332 0.8402 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Brugia malayi Animal haem peroxidase family protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) hypothetical protein 0.0097 0.1408 0.1675
Echinococcus multilocularis solute carrier family 5 0.0075 0.0762 0.0906
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0075 0.0762 0.0906
Onchocerca volvulus Dual oxidase homolog 0.0104 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0762 0.0906
Schistosoma mansoni high-affinity choline transporter 0.0075 0.0762 0.0762
Loa Loa (eye worm) hypothetical protein 0.0104 0.1626 0.1935
Loa Loa (eye worm) animal heme peroxidase 0.0104 0.1626 0.1935
Brugia malayi Sodium:solute symporter family protein 0.0075 0.0762 0.0906
Onchocerca volvulus Peroxidasin homolog 0.0104 0.1626 1
Toxoplasma gondii cathepsin B 0.0109 0.1782 1
Loa Loa (eye worm) animal heme peroxidase 0.0104 0.1626 0.1935
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.8402 0.8402
Echinococcus granulosus calpain A 0.0142 0.2746 0.3269
Loa Loa (eye worm) animal heme peroxidase 0.0104 0.1626 0.1935

Activities

Activity type Activity value Assay description Source Reference
IC (functional) = 50 uM Platelet membrane permeability. ChEMBL. 8831774
IC50 (functional) = 50 uM Inhibitory potency against rat platelet membrane permeability at pH 7.35 ChEMBL. 8230139
Ki (binding) = 0.022 nM Compound was evaluated for the inhibition of Cysteine protease Calpain 2 ChEMBL. 8831774
Ki (binding) = 0.2 nM Inhibition of the cysteine protease human Calpain 1 ChEMBL. 8831774
Ki (binding) = 1.3 nM Inhibition of human cathepsin B ChEMBL. 8831774
Ki (binding) = 0.022 uM Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0 ChEMBL. 8230139
Ki (binding) = 0.022 uM Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0 ChEMBL. 8230139
Ki (binding) = 0.022 uM Compound was evaluated for the inhibition of Cysteine protease Calpain 2 ChEMBL. 8831774
Ki (binding) = 0.2 uM Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0. ChEMBL. 8230139
Ki (binding) = 0.2 uM Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0. ChEMBL. 8230139
Ki (binding) = 0.2 uM Inhibition of the cysteine protease human Calpain 1 ChEMBL. 8831774
Ki (binding) = 1.3 uM Inhibition of alpha-keto esters towards cathepsin B at pH 5.2 ChEMBL. 8230139
Ki (binding) = 1.3 uM Inhibition of alpha-keto esters towards cathepsin B at pH 5.2 ChEMBL. 8230139
Ki (binding) = 1.3 uM Inhibition of human cathepsin B ChEMBL. 8831774
Ki (binding) = 38 uM Inhibitory activity of alpha-ketoesters towards papain at pH 6.0 ChEMBL. 8230139
Ki (binding) = 38 uM Inhibitory activity of alpha-ketoesters towards papain at pH 6.0 ChEMBL. 8230139

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

2 literature references were collected for this gene.

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