Detailed information for compound 1895702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.445 | Formula: C20H27N3O6
  • H donors: 4 H acceptors: 5 LogP: -0.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C=C\C(=O)O.NCCCC(Nc1cc(OC)cc2c1nc(OC)cc2)C
  • InChi: 1S/C16H23N3O2.C4H4O4/c1-11(5-4-8-17)18-14-10-13(20-2)9-12-6-7-15(21-3)19-16(12)14;5-3(6)1-2-4(7)8/h6-7,9-11,18H,4-5,8,17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
  • InChiKey: VGJRNOVJDFZLNW-BTJKTKAUSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis calpain A 0.0207 0.1285 0.1285
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0404 0.399
Echinococcus granulosus cysteine protease 0.0015 0.0006 0.0019
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0015 0.0006 0.0019
Trichomonas vaginalis hypothetical protein 0.0022 0.0056 0.0382
Trypanosoma brucei Calpain-like protein CALP1.3 0.0022 0.0056 0.05
Loa Loa (eye worm) calpain family protein 1 0.0198 0.1226 0.3794
Mycobacterium ulcerans aldehyde dehydrogenase 0.0054 0.0266 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0201 0.0621
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.399
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0027 0.0083 0.0083
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0015 0.0006 0.0019
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Trichomonas vaginalis calpain, putative 0.0022 0.0056 0.0382
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0164 0.1004 0.3093
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0404 0.1234
Leishmania major cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0056 0.0155
Giardia lamblia Cathepsin B precursor 0.0164 0.1004 1
Entamoeba histolytica calpain large subunit domain III containing protein 0.0052 0.0255 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0015 0.0006 0.0019
Leishmania major calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Mycobacterium ulcerans aldehyde dehydrogenase 0.0054 0.0266 1
Trypanosoma brucei cysteine peptidase, putative 0.0022 0.0056 0.05
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0056 0.0155
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0022 0.0056 0.0382
Brugia malayi cathepsin B-like cysteine proteinase 0.0498 0.3231 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0015 0.0006 0.0019
Echinococcus multilocularis calpain 7 (C02 family) 0.0075 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0022 0.0056 0.0174
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0054 0.0266 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0015 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0404 0.1234
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0027 0.0083 0.0258
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0015 0.0006 0.0019
Echinococcus granulosus cathepsin b 0.0498 0.3231 1
Echinococcus multilocularis calpain 5 0.0075 0.0404 0.0404
Trypanosoma cruzi kinesin, putative 0.0052 0.0255 0.077
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.1234
Echinococcus granulosus calpain 5 0.0075 0.0404 0.1251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0202 0.0625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0201 0.0621
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0015 0.0006 0.0019
Echinococcus granulosus cathepsin L 0.0015 0.0006 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.399
Brugia malayi cathepsin L-like precursor 0.0015 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0404 0.399
Loa Loa (eye worm) hypothetical protein 0.021 0.1308 0.4048
Echinococcus multilocularis cysteine protease 0.0015 0.0006 0.0006
Schistosoma mansoni calpain C (C02 family) 0.0075 0.0404 0.1251
Echinococcus multilocularis cathepsin L 0.0015 0.0006 0.0006
Brugia malayi calpain D 0.0022 0.0056 0.0174
Loa Loa (eye worm) hypothetical protein 0.003 0.0108 0.0336
Schistosoma mansoni hypothetical protein 0.0043 0.0192 0.0595
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0146 0.1073
Trypanosoma brucei hypothetical protein 0.0022 0.0056 0.05
Schistosoma mansoni aldehyde dehydrogenase 0.0054 0.0266 0.0825
Brugia malayi cathepsin F-like cysteine proteinase 0.0015 0.0006 0.0019
Brugia malayi Papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Trypanosoma brucei antigen, putative 0.0075 0.0404 0.399
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0498 0.3231 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0207 0.1285 0.3979
Trypanosoma brucei Calpain-like protein 1.1 0.0022 0.0056 0.05
Brugia malayi Papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.0022 0.0056 0.05
Echinococcus multilocularis survival motor neuron protein 1 0.021 0.1308 0.1308
Loa Loa (eye worm) calpain family protein 1 0.0146 0.0878 0.2716
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0054 0.0266 0.2608
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Brugia malayi calpain 7 0.0075 0.0404 0.1251
Trypanosoma brucei kinesin, putative 0.0052 0.0255 0.249
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0056 0.0382
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0498 0.3231 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0015 0.0006 0.0019
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Brugia malayi calpain family protein 1 0.0198 0.1226 0.3794
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0404 0.1234
Echinococcus granulosus cathepsin l1 0.0015 0.0006 0.0019
Plasmodium vivax SET domain protein, putative 0.0027 0.0083 0.194
Loa Loa (eye worm) fibroinase 0.0015 0.0006 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0146 0.0434
Trichomonas vaginalis calpain, putative 0.0022 0.0056 0.0382
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0022 0.0056 0.0382
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0146 0.1404
Loa Loa (eye worm) cathepsin B 0.0164 0.1004 0.3106
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0022 0.0056 0.0382
Trypanosoma cruzi kinesin, putative 0.0052 0.0255 0.077
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0015 0.0006 0.0019
Schistosoma mansoni calpain-7 (C02 family) 0.0075 0.0404 0.1251
Toxoplasma gondii aldehyde dehydrogenase 0.0054 0.0266 0.2608
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0056 0.0155
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0054 0.0266 0.0825
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0146 0.5638
Toxoplasma gondii hypothetical protein 0.0022 0.0056 0.05
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.399
Loa Loa (eye worm) hypothetical protein 0.0175 0.1076 0.3331
Trypanosoma brucei Calpain-like protein 2 0.0022 0.0056 0.05
Schistosoma mansoni hypothetical protein 0.0166 0.1011 0.3131
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0146 0.1073
Echinococcus granulosus cathepsin L cysteine protease 0.0015 0.0006 0.0019
Leishmania major hypothetical protein, unknown function 0.0022 0.0056 0.05
Echinococcus granulosus survival motor neuron protein 1 0.021 0.1308 0.4048
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0015 0.0006 0.0019
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.0006 0.0019
Loa Loa (eye worm) calpain 0.0075 0.0404 0.1251
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0015 0.0006 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.0108 0.0336
Brugia malayi Inositol-1 0.0036 0.0146 0.0453
Schistosoma mansoni hypothetical protein 0.0022 0.0056 0.0174
Onchocerca volvulus 0.021 0.131 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0015 0.0006 0.0019
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0022 0.0056 0.0155
Loa Loa (eye worm) hypothetical protein 0.0146 0.0878 0.2716
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0207 0.1285 0.3979
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Plasmodium falciparum calpain 0.0022 0.0056 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0015 0.0006 0.0019
Brugia malayi Papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Trichomonas vaginalis calpain, putative 0.0022 0.0056 0.0382
Schistosoma mansoni cathepsin S (C01 family) 0.0015 0.0006 0.0019
Trypanosoma cruzi conserved protein 0.0022 0.0056 0.0155
Schistosoma mansoni hypothetical protein 0.0166 0.1011 0.3131
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Brugia malayi Papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0498 0.3231 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.1234
Echinococcus multilocularis calpain 0.0075 0.0404 0.0404
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0201 0.0201
Leishmania major hypothetical protein, conserved 0.0022 0.0056 0.05
Echinococcus multilocularis cathepsin L 0.0015 0.0006 0.0006
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Echinococcus multilocularis geminin 0.0166 0.1011 0.1011
Brugia malayi cathepsin Z-like cysteine proteinase 0.0015 0.0006 0.0019
Brugia malayi Pre-SET motif family protein 0.0027 0.0083 0.0258
Brugia malayi calpain 5 0.0022 0.0056 0.0174
Echinococcus granulosus calpain A 0.0075 0.0404 0.1251
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0201 0.0621
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.399
Schistosoma mansoni Mername-AA248 (C02 family) 0.0075 0.0404 0.1251
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.0022 0.0056 0.05
Schistosoma mansoni cathepsin B (C01 family) 0.0015 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0083 0.0258
Loa Loa (eye worm) hypothetical protein 0.0123 0.0728 0.2253
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0026 0.0077 0.0238
Brugia malayi cathepsin Z-like cysteine proteinase 0.0015 0.0006 0.0019
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0022 0.0056 0.0155
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Brugia malayi Papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Onchocerca volvulus 0.0043 0.0192 0.1427
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0146 0.0434
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Brugia malayi cathepsin L precursor 0.0015 0.0006 0.0019
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0207 0.1285 0.3979
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0022 0.0056 0.05
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0022 0.0056 0.0382
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0056 0.0155
Loa Loa (eye worm) ctsf protein 0.0015 0.0006 0.0019
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.0006 0.0019
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0015 0.0006 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Brugia malayi Papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0164 0.1004 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0121 0.5
Schistosoma mansoni hypothetical protein 0.003 0.0108 0.0336
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0404 0.399
Echinococcus granulosus calpain 7 C02 family 0.0075 0.0404 0.1251
Leishmania major calpain family cysteine protease-like protein 0.0022 0.0056 0.05
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Leishmania major calpain protease-like protein 0.0022 0.0056 0.05
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Entamoeba histolytica calpain family cysteine protease, putative 0.0022 0.0056 0.2008
Onchocerca volvulus 0.0027 0.0083 0.0592
Trypanosoma brucei calpain, putative 0.0022 0.0056 0.05
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0056 0.0155
Schistosoma mansoni survival motor neuron protein 0.0043 0.0192 0.0595
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0404 0.1234
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0146 0.1073
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.1234
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0022 0.0056 0.0155
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0083 0.0258
Echinococcus granulosus cathepsin b 0.0498 0.3231 1
Brugia malayi fibroinase precursor 0.0015 0.0006 0.0019
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0164 0.1004 0.7647
Brugia malayi cathepsin L-like cysteine proteinase 0.0015 0.0006 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0201 0.0621
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0207 0.1285 0.1285
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.0202 0.0625
Giardia lamblia Cathepsin B precursor 0.0164 0.1004 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0015 0.0006 0.0019
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0185 0.114 0.3528
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0022 0.0056 0.0382
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0498 0.3231 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0015 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0498 0.3231 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.0006 0.0019
Schistosoma mansoni cathepsin C 0.0015 0.0006 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0146 0.1404
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0146 0.1404
Schistosoma mansoni inositol monophosphatase 0.0036 0.0146 0.0453
Trypanosoma brucei calpain, putative 0.0022 0.0056 0.05
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Loa Loa (eye worm) calpain D 0.0022 0.0056 0.0174
Echinococcus granulosus histone lysine methyltransferase setb 0.0027 0.0083 0.0258
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0404 0.399
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0164 0.1004 0.3106
Echinococcus multilocularis cysteine protease 0.0015 0.0006 0.0006
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Echinococcus multilocularis cathepsin L cysteine protease 0.0015 0.0006 0.0006
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Echinococcus multilocularis cathepsin b 0.0498 0.3231 0.3231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0201 0.0621
Echinococcus multilocularis calpain family protein 1, d 0.0146 0.0878 0.0878
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0056 0.0155
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Brugia malayi Cathepsin L-like precursor 0.0015 0.0006 0.0019
Echinococcus granulosus geminin 0.0166 0.1011 0.3131
Loa Loa (eye worm) hypothetical protein 0.0027 0.0083 0.0258
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0075 0.0404 0.1234
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0027 0.0083 0.0083
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0146 0.0453
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Schistosoma mansoni inositol monophosphatase 0.0036 0.0146 0.0453
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0022 0.0056 0.0155
Schistosoma mansoni calpain-7 (C02 family) 0.0075 0.0404 0.1251
Echinococcus granulosus cathepsin L 0.0015 0.0006 0.0019
Onchocerca volvulus 0.0123 0.0728 0.5535
Echinococcus granulosus cathepsin l cysteine peptidase 0.0015 0.0006 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0146 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0015 0.0006 0.0019
Schistosoma mansoni calpain (C02 family) 0.0075 0.0404 0.1251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0201 0.0621
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0498 0.3231 1
Giardia lamblia Cathepsin B precursor 0.0164 0.1004 1
Leishmania major kinesin, putative 0.0052 0.0255 0.249
Mycobacterium ulcerans aldehyde dehydrogenase 0.0054 0.0266 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0404 0.1234
Echinococcus multilocularis cathepsin b 0.0498 0.3231 0.3231
Entamoeba histolytica protein kinase, putative 0.0052 0.0255 1
Loa Loa (eye worm) inositol-1 0.0036 0.0146 0.0453
Echinococcus granulosus cathepsin l1 0.0015 0.0006 0.0019
Schistosoma mansoni aldehyde dehydrogenase 0.0054 0.0266 0.0825
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0083 0.0258
Plasmodium vivax calpain, putative 0.0075 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0019
Echinococcus multilocularis hypothetical protein 0.0075 0.0404 0.0404
Schistosoma mansoni calpain-2 (C02 family) 0.0022 0.0056 0.0174
Loa Loa (eye worm) calpain 5 0.0052 0.0255 0.0788
Brugia malayi hypothetical protein 0.021 0.1308 0.4048
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0015 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0198 0.1226 0.3794
Echinococcus multilocularis cathepsin L cysteine protease 0.0015 0.0006 0.0006
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0027 0.0083 0.0774
Trichomonas vaginalis set domain proteins, putative 0.021 0.131 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0146 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0201 0.0621
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.0155
Brugia malayi calpain family protein 1 0.0198 0.1226 0.3794
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0075 0.0404 0.399
Brugia malayi Pre-SET motif family protein 0.0185 0.114 0.3528
Trypanosoma brucei Calpain-like protein 1.2 0.0022 0.0056 0.05
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0404 0.1234
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0198 0.1226 0.3794
Echinococcus granulosus calpain A 0.0207 0.1285 0.3979
Brugia malayi calpain 5 0.0052 0.0255 0.0788
Echinococcus granulosus calpain 0.0075 0.0404 0.1251
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0054 0.0266 0.0266
Loa Loa (eye worm) cysteine protease 0.0015 0.0006 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0056 0.05
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0043 0.0192 0.0595
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0022 0.0056 0.05
Echinococcus granulosus cathepsin L cysteine proteinase 0.0015 0.0006 0.0019
Trypanosoma brucei cysteine peptidase C (CPC) 0.0164 0.1004 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0202 0.0625
Toxoplasma gondii cathepsin B 0.0164 0.1004 1
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0022 0.0056 0.0382
Loa Loa (eye worm) hypothetical protein 0.0044 0.0202 0.0625
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0015 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in mouse infected with blood stage of Plasmodium berghei assessed as mortality at 640 mg/kg, sc measured on day 5 ChEMBL. 102798
Activity (ADMET) Toxicity in mouse infected with blood stage of Plasmodium berghei assessed as mortality at 160 mg/kg, sc measured on day 1 ChEMBL. 102798
Activity (ADMET) Toxicity in mouse infected with blood stage of Plasmodium berghei assessed as mortality at 320 mg/kg, sc measured on day 5 ChEMBL. 102798
Ratio (functional) = 2.4 Potency index, ratio of glucantime to compound for antileishmanial activity against Leishmania donovani infected in hamster assessed as 90% suppression of parasitemia at 13 mg/kg/day, im bid administered 4 days measured for 8 days ChEMBL. 102798
Survival (functional) = 6.1 day Antimalarial activity against blood stage of Plasmodium berghei infected in mouse assessed as increase in mean survival time at 80 mg/kg, sc ChEMBL. 102798

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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