Detailed information for compound 259081

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.647 | Formula: C27H43N3O6
  • H donors: 3 H acceptors: 4 LogP: 3.98 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)COC(C)(C)C)CC(C)C)CC(C)C
  • InChi: 1S/C27H43N3O6/c1-18(2)13-21(15-31)28-24(32)22(14-19(3)4)29-25(33)23(17-36-27(5,6)7)30-26(34)35-16-20-11-9-8-10-12-20/h8-12,15,18-19,21-23H,13-14,16-17H2,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t21-,22-,23+/m1/s1
  • InChiKey: IDXZDBCBHDIQIY-ZLNRFVROSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
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
Loa Loa (eye worm) hypothetical protein 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 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 granulosus calpain A 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 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
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi calpain family protein 1 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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Aldose reductase 0.0385 0.9583 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0175 0.0172
Echinococcus multilocularis aldo keto reductase 0.0385 0.9583 0.9583
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0472 0.0427
Mycobacterium tuberculosis Probable oxidoreductase 0.0385 0.9583 1
Schistosoma mansoni calpain-7 (C02 family) 0.0025 0.0414 0.035
Echinococcus granulosus Chromobox protein 3 0.0011 0.0066 0.0063
Trichomonas vaginalis aldo/keto reductase, putative 0.0385 0.9583 1
Plasmodium vivax aldehyde reductase, putative 0.0111 0.262 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0228 0.0171
Echinococcus granulosus aldo keto reductase 0.0385 0.9583 0.9583
Echinococcus multilocularis geminin 0.0166 0.4014 0.4013
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.0107 0.0104
Echinococcus granulosus Chromo domain 0.0011 0.0066 0.0063
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0081 0.0016
Loa Loa (eye worm) hypothetical protein 0.0038 0.0757 0.0787
Toxoplasma gondii aldose reductase, putative 0.0385 0.9583 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0228 0.0171
Loa Loa (eye worm) hypothetical protein 0.0049 0.1026 0.1068
Echinococcus multilocularis Chromo domain 0.0011 0.0066 0.0063
Brugia malayi hypothetical protein 0.0011 0.0066 0.0069
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Echinococcus granulosus calpain A 0.0069 0.1534 0.1532
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0414 0.0203
Loa Loa (eye worm) hypothetical protein 0.0058 0.1268 0.132
Entamoeba histolytica alcohol dehydrogenase, putative 0.0111 0.262 0.2684
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0066 0.0069
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0111 0.262 0.2734
Schistosoma mansoni calpain-7 (C02 family) 0.0025 0.0414 0.035
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Entamoeba histolytica alcohol dehydrogenase, putative 0.0111 0.262 0.2684
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0175 0.0172
Loa Loa (eye worm) calpain family protein 1 0.0066 0.1458 0.1519
Schistosoma mansoni hypothetical protein 0.0166 0.4014 0.3975
Schistosoma mansoni aldo-keto reductase 0.0385 0.9583 0.958
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Onchocerca volvulus 0.0385 0.9583 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Brugia malayi chromobox protein homolog 3 0.0038 0.0757 0.0789
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0066 0.0063
Schistosoma mansoni potassium channel beta 0.0111 0.262 0.2571
Onchocerca volvulus 0.0385 0.9583 1
Echinococcus multilocularis calpain family protein 1, d 0.0048 0.1016 0.1013
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Loa Loa (eye worm) calpain 5 0.0017 0.0223 0.023
Echinococcus multilocularis aldo keto reductase 0.0385 0.9583 0.9583
Schistosoma mansoni Mername-AA248 (C02 family) 0.0025 0.0414 0.035
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0472 0.0427
Loa Loa (eye worm) oxidoreductase 0.0385 0.9583 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Brugia malayi calpain 7 0.0025 0.0414 0.0432
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0831 0.0804
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0385 0.9583 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.0107 0.0108
Plasmodium falciparum aldehyde reductase, putative 0.0111 0.262 1
Schistosoma mansoni cpg binding protein 0.003 0.0539 0.0477
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0385 0.9583 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0175 0.018
Loa Loa (eye worm) calpain 0.0025 0.0414 0.0429
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0111 0.262 0.2561
Loa Loa (eye worm) oxidoreductase 0.0385 0.9583 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0831 0.0804
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0414 0.0203
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0228 0.0171
Leishmania major aldo-keto reductase-like protein 0.0385 0.9583 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0498 0.052
Schistosoma mansoni hypothetical protein 0.0015 0.0175 0.011
Toxoplasma gondii aldo-keto reductase 0.0111 0.262 0.2684
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0385 0.9583 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0175 0.0172
Schistosoma mansoni cpg binding protein 0.003 0.0539 0.0477
Schistosoma mansoni calpain C (C02 family) 0.0025 0.0414 0.035
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0066 0.0063
Trypanosoma brucei prostaglandin f synthase 0.0385 0.9583 1
Plasmodium vivax calpain, putative 0.0025 0.0414 0.1362
Echinococcus multilocularis aldehyde reductase 0.0273 0.6744 0.6743
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1026 0.1071
Loa Loa (eye worm) hypothetical protein 0.0066 0.1458 0.1519
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0175 0.0183
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0069 0.1534 0.1532
Schistosoma mansoni hypothetical protein 0.0015 0.0175 0.011
Echinococcus multilocularis chromobox protein 2 0.0011 0.0066 0.0063
Echinococcus multilocularis dnaJ subfamily B 0.0401 1 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.0107 0.0104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1026 0.1071
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Brugia malayi Heterochromatin protein 1 0.0068 0.1522 0.1588
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0414 0.0203
Trichomonas vaginalis aldo/keto reductase, putative 0.0385 0.9583 1
Loa Loa (eye worm) hypothetical protein 0.0385 0.9583 1
Echinococcus multilocularis cpg binding protein 0.003 0.0539 0.0537
Echinococcus granulosus aldehyde reductase 0.0273 0.6744 0.6743
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0153 0.0092
Echinococcus granulosus calpain 5 0.0025 0.0414 0.0411
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Trypanosoma cruzi aldo-keto reductase 0.0385 0.9583 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.1534 0.1478
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0175 0.0183
Plasmodium falciparum aldo-keto reductase, putative 0.0111 0.262 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0107 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0175 0.018
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0066 0.0069
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0414 0.0203
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0175 0.0172
Loa Loa (eye worm) oxidoreductase 0.0385 0.9583 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0385 0.9583 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.1458 0.1402
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Onchocerca volvulus 0.0028 0.0498 0.0455
Trypanosoma brucei aldo-keto reductase, putative 0.0385 0.9583 1
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0066 0.0069
Echinococcus multilocularis aldo keto reductase 0.0385 0.9583 0.9583
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0414 0.0203
Brugia malayi calpain family protein 1 0.0066 0.1458 0.1522
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Trichomonas vaginalis aldo-keto reductase, putative 0.0111 0.262 0.2684
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0385 0.9583 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0414 0.0203
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.1534 0.1478
Onchocerca volvulus 0.003 0.0546 0.0504
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Loa Loa (eye worm) calpain family protein 1 0.0048 0.1016 0.1057
Entamoeba histolytica aldose reductase, putative 0.0385 0.9583 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0111 0.262 0.2684
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1303 0.1245
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Echinococcus granulosus chromobox protein 2 0.0011 0.0066 0.0063
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Loa Loa (eye worm) helicase 0.0011 0.0066 0.0066
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.1534 0.1532
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0498 0.0517
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Schistosoma mansoni chromobox protein 0.0068 0.1522 0.1465
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Mycobacterium leprae Conserved hypothetical protein 0.0273 0.6744 0.5922
Entamoeba histolytica protein kinase, putative 0.0017 0.0223 0.0166
Echinococcus granulosus GPCR family 2 0.0015 0.0175 0.0172
Echinococcus multilocularis calpain 0.0025 0.0414 0.0411
Loa Loa (eye worm) hypothetical protein 0.003 0.0546 0.0567
Brugia malayi SET domain containing protein 0.0012 0.0081 0.0085
Echinococcus granulosus hypothetical protein 0.0385 0.9583 0.9583
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.262 0.2684
Brugia malayi calpain 5 0.0017 0.0223 0.0233
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0228 0.0171
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0111 0.262 0.2618
Echinococcus granulosus chromobox protein 1 0.0068 0.1522 0.1519
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0111 0.262 0.2732
Schistosoma mansoni aldo-keto reductase 0.0385 0.9583 0.958
Trypanosoma cruzi aldo/keto reductase, putative 0.0385 0.9583 1
Schistosoma mansoni pol-related 0.0385 0.9583 0.958
Leishmania major prostaglandin f synthase, putative 0.0385 0.9583 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1522 0.153
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Echinococcus granulosus chromobox protein 1 0.0068 0.1522 0.1519
Echinococcus multilocularis voltage gated potassium channel subunit 0.0111 0.262 0.2618
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0066 0.0063
Onchocerca volvulus 0.0012 0.0081 0.0016
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.114 0.1129
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Loa Loa (eye worm) oxidoreductase 0.0385 0.9583 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1522 0.153
Entamoeba histolytica aldose reductase, putative 0.0385 0.9583 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0385 0.9583 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0632 0.066
Schistosoma mansoni calpain (C02 family) 0.0025 0.0414 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0757 0.0726
Schistosoma mansoni hypothetical protein 0.0015 0.0175 0.011
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0414 0.0203
Onchocerca volvulus 0.0385 0.9583 1
Echinococcus granulosus calpain 0.0025 0.0414 0.0411
Echinococcus granulosus cpg binding protein 0.003 0.0539 0.0537
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1522 0.1585
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Onchocerca volvulus 0.0041 0.0825 0.0798
Echinococcus multilocularis aldo keto reductase 0.0385 0.9583 0.9583
Loa Loa (eye worm) hypothetical protein 0.0048 0.1016 0.1057
Onchocerca volvulus 0.0385 0.9583 1
Echinococcus granulosus calpain 7 C02 family 0.0025 0.0414 0.0411
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0385 0.9583 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0385 0.9583 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0831 0.0804
Echinococcus granulosus calpain A 0.0025 0.0414 0.0411
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0228 0.0171
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0414 0.0203
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0228 0.0171
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1026 0.1068
Echinococcus multilocularis GPCR, family 2 0.0015 0.0175 0.0172
Brugia malayi calpain family protein 1 0.0066 0.1458 0.1522
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0228 0.0171
Trichomonas vaginalis aldo-keto reductase, putative 0.0111 0.262 0.2684
Schistosoma mansoni hypothetical protein 0.0401 1 1
Echinococcus granulosus geminin 0.0166 0.4014 0.4013
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0111 0.262 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0385 0.9583 1
Echinococcus multilocularis hypothetical protein 0.0025 0.0414 0.0411
Echinococcus multilocularis chromobox protein 1 0.0068 0.1522 0.1519
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0111 0.262 0.2684
Giardia lamblia Aldose reductase 0.0385 0.9583 0.5
Echinococcus multilocularis calpain A 0.0069 0.1534 0.1532
Echinococcus granulosus voltage gated potassium channel subunit 0.0111 0.262 0.2618
Echinococcus multilocularis calpain 5 0.0025 0.0414 0.0411
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0385 0.9583 1
Trypanosoma brucei aldo/keto reductase, putative 0.0111 0.262 0.2561
Mycobacterium ulcerans oxidoreductase 0.0385 0.9583 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0385 0.9583 0.9583
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Schistosoma mansoni hypothetical protein 0.0166 0.4014 0.3975
Onchocerca volvulus 0.0385 0.9583 1
Schistosoma mansoni chromobox protein 0.0068 0.1522 0.1465
Schistosoma mansoni hypothetical protein 0.0015 0.0175 0.011
Trichomonas vaginalis aldo-keto reductase, putative 0.0385 0.9583 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0153 0.0092
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0385 0.9583 1
Echinococcus granulosus aldo keto reductase 0.0385 0.9583 0.9583
Echinococcus multilocularis calpain 7 (C02 family) 0.0025 0.0414 0.0411
Brugia malayi NADH-dependent xylose reductase 0.0111 0.262 0.2734
Schistosoma mansoni cpg binding protein 0.0028 0.0498 0.0435
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0025 0.0414 0.0203
Trichomonas vaginalis aldo-keto reductase, putative 0.0111 0.262 0.2684
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0757 0.0726
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0385 0.9583 0.9583
Trypanosoma brucei calpain-like protein, putative 0.0025 0.0414 0.0203
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0066 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0757 0.0726
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0066
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0025 0.0414 0.0203
Brugia malayi CHD4 protein 0.0013 0.0107 0.0111
Onchocerca volvulus 0.0111 0.262 0.2684
Trypanosoma cruzi aldo/keto reductase, putative 0.0111 0.262 0.2561
Onchocerca volvulus 0.0385 0.9583 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0632 0.0657
Loa Loa (eye worm) hypothetical protein 0.0041 0.0825 0.0859
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0141 0.0079
Echinococcus granulosus aldo keto reductase 0.0385 0.9583 0.9583
Brugia malayi Protein cec-1. 0.0011 0.0066 0.0069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0228 0.0171
Entamoeba histolytica calpain large subunit domain III containing protein 0.0017 0.0223 0.0166
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Entamoeba histolytica aldose reductase, putative 0.0385 0.9583 1
Trypanosoma brucei antigen, putative 0.0025 0.0414 0.0203
Loa Loa (eye worm) oxidoreductase 0.0385 0.9583 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0111 0.262 0.2684
Echinococcus multilocularis chromobox protein 1 0.0068 0.1522 0.1519
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0414 0.0203
Schistosoma mansoni hypothetical protein 0.0033 0.0632 0.057

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 nM Inhibitory activity evaluated against recombinant human calpain 1 ChEMBL. No reference
IC50 (binding) = 12 nM Inhibitory activity evaluated against recombinant human calpain 1 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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