Detailed information for compound 402122

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2620.52 | Formula: C109H163N32O34P5
  • H donors: 16 H acceptors: 24 LogP: -12.1 Rotable bonds: 52
    Rule of 5 violations (Lipinski): 4
  • SMILES: Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H](C1)OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)O)n1cnc2c1ncnc2N)O)n1cnc2c1nc(N)[nH]c2=O)O)COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC
  • InChi: 1S/C79H88N27O34P5.5C6H15N/c1-36-23-101(78(113)100-69(36)108)53-18-41(47(131-53)24-124-79(37-11-5-2-6-12-37,38-13-7-3-8-14-38)39-15-9-4-10-16-39)136-142(116,117)126-27-49-43(20-55(133-49)104-33-89-60-66(104)93-75(82)97-71(60)110)139-144(120,121)128-29-51-45(22-57(135-51)106-35-91-62-68(106)95-77(84)99-73(62)112)140-145(122,123)129-28-50-44(21-56(134-50)105-34-90-61-67(105)94-76(83)98-72(61)111)138-143(118,119)127-26-48-42(19-54(132-48)102-31-87-58-63(80)85-30-86-64(58)102)137-141(114,115)125-25-46-40(107)17-52(130-46)103-32-88-59-65(103)92-74(81)96-70(59)109;5*1-4-7(5-2)6-3/h2-16,23,30-35,40-57,107H,17-22,24-29H2,1H3,(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H2,80,85,86)(H,100,108,113)(H3,81,92,96,109)(H3,82,93,97,110)(H3,83,94,98,111)(H3,84,95,99,112);5*4-6H2,1-3H3/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+;;;;;/m0...../s1
  • InChiKey: DMRBAANQQZTIOF-DJVSYLDHSA-N  


Substructure search Similarity search

Network

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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
Onchocerca volvulus 0.0187 0.2114 1
Trypanosoma cruzi cysteine protease, putative 0.0102 0.1011 0.1896
Brugia malayi Cathepsin L-like precursor 0.0058 0.0435 0.0815
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0034 0.0128 0.024
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0044 0.0259 0.1227
Echinococcus multilocularis cathepsin L cysteine protease 0.0187 0.2114 0.3711
Echinococcus granulosus cathepsin L cysteine protease 0.0102 0.1011 0.1557
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Echinococcus granulosus cathepsin l1 0.0187 0.2114 0.3711
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Entamoeba histolytica cysteine proteinase 1, putative 0.0102 0.1011 0.4054
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0941 0.1588
Echinococcus granulosus cathepsin b 0.0436 0.5332 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0187 0.2114 0.3711
Leishmania major cysteine peptidase A (CPA) 0.0187 0.2114 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0815
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0044 0.0259 0.1227
Onchocerca volvulus 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Brugia malayi cathepsin Z-like cysteine proteinase 0.0044 0.0259 0.0486
Plasmodium vivax unspecified product 0.0044 0.0259 0.1227
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0112 0.0209
Plasmodium falciparum serine repeat antigen 7 0.0044 0.0259 0.1227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.031 0.0581
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0921 0.1382
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
Loa Loa (eye worm) hypothetical protein 0.0119 0.1224 0.2296
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0044 0.0259 0.0486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.1011 0.4784
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0044 0.0259 0.1227
Trypanosoma cruzi cysteine proteinase, putative 0.0102 0.1011 0.1896
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0044 0.0259 0.0283
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0423 0.0407
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0423 0.0793
Plasmodium falciparum serine repeat antigen 6 0.0044 0.0259 0.1227
Echinococcus multilocularis cathepsin b 0.0436 0.5332 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0214 0.0402
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Loa Loa (eye worm) blistered cuticle protein 3 0.0034 0.0128 0.024
Onchocerca volvulus 0.0147 0.1584 0.7332
Trypanosoma cruzi cysteine proteinase, putative 0.0102 0.1011 0.1896
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0044 0.0259 0.0237
Loa Loa (eye worm) hypothetical protein 0.013 0.1362 0.2554
Loa Loa (eye worm) hypothetical protein 0.0145 0.1562 0.293
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0187 0.2114 0.3835
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0436 0.5332 1
Loa Loa (eye worm) fibroinase 0.0187 0.2114 0.3964
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Brugia malayi jmjC domain containing protein 0.0057 0.0423 0.0793
Echinococcus granulosus cathepsin l cysteine peptidase 0.0187 0.2114 0.3711
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Plasmodium vivax serine-repeat antigen (SERA) 0.0044 0.0259 0.1227
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Entamoeba histolytica cysteine proteinase, putative 0.0187 0.2114 1
Onchocerca volvulus Cathepsin L homolog 0.0187 0.2114 1
Giardia lamblia Cathepsin B precursor 0.0165 0.1828 1
Plasmodium vivax vivapain-2 0.0187 0.2114 1
Schistosoma mansoni patched 1 0.0041 0.0214 0.0197
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0044 0.0259 0.0486
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0165 0.1828 0.865
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0187 0.2114 0.3711
Echinococcus granulosus cysteine protease 0.0102 0.1011 0.1557
Toxoplasma gondii cathepsin CPC1 0.0044 0.0259 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0259 0.0237
Brugia malayi Blistered cuticle protein 3 0.0034 0.0128 0.024
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0436 0.5332 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Onchocerca volvulus 0.0044 0.0259 0.0663
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0187 0.2114 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Schistosoma mansoni cathepsin F (C01 family) 0.0187 0.2114 0.3835
Onchocerca volvulus 0.0187 0.2114 1
Echinococcus multilocularis cathepsin L 0.0044 0.0259 0.0088
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Plasmodium falciparum serine repeat antigen 3 0.0044 0.0259 0.1227
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0044 0.0259 0.0283
Schistosoma mansoni cathepsin s 0.0058 0.0435 0.0619
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0044 0.0259 0.1227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0102 0.1011 0.1723
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Loa Loa (eye worm) hypothetical protein 0.0215 0.2465 0.4622
Brugia malayi Papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.013 0.1362 0.6042
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0102 0.1011 0.1723
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.031 0.0581
Entamoeba histolytica cysteine proteinase, putative 0.0187 0.2114 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Schistosoma mansoni cathepsin F (C01 family) 0.013 0.1362 0.2395
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.031 0.0581
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.013 0.1362 0.2554
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus granulosus cathepsin L 0.0044 0.0259 0.0088
Brugia malayi cathepsin F-like cysteine proteinase 0.0058 0.0435 0.0815
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1562 0.2633
Plasmodium falciparum serine repeat antigen 2 0.0044 0.0259 0.1227
Brugia malayi CHE-14 protein 0.0041 0.0214 0.0402
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0058 0.0435 0.0815
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0044 0.0259 0.1227
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0044 0.0259 0.1227
Brugia malayi hypothetical protein 0.0119 0.1224 0.2296
Onchocerca volvulus 0.0187 0.2114 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0044 0.0259 0.0486
Echinococcus multilocularis cysteine protease 0.0187 0.2114 0.3711
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0815
Loa Loa (eye worm) cysteine protease 0.0187 0.2114 0.3964
Onchocerca volvulus 0.0187 0.2114 1
Brugia malayi Papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0102 0.1011 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1453 0.242
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.1011 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.1011 0.4784
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Plasmodium falciparum serine repeat antigen 8 0.0044 0.0259 0.1227
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0187 0.2114 0.3964
Echinococcus granulosus cathepsin l1 0.013 0.1362 0.2242
Plasmodium falciparum serine repeat antigen 5 0.0044 0.0259 0.1227
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0044 0.0259 0.1227
Entamoeba histolytica cysteine proteinase 2 0.0102 0.1011 0.4054
Toxoplasma gondii cathepsin B 0.0165 0.1828 0.1828
Entamoeba histolytica cysteine protease, putative 0.0187 0.2114 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0044 0.0259 0.1227
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0423 0.0596
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0423 0.0596
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0112 0.0209
Loa Loa (eye worm) ctsf protein 0.0187 0.2114 0.3964
Plasmodium vivax unspecified product 0.0058 0.0435 0.2056
Echinococcus multilocularis expressed conserved protein 0.009 0.0846 0.1235
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.0259 0.0237
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Plasmodium vivax unspecified product 0.0102 0.1011 0.4784
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0058 0.0435 0.0815
Brugia malayi Papain family cysteine protease containing protein 0.0187 0.2114 0.3964
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0423 0.0407
Loa Loa (eye worm) hypothetical protein 0.013 0.1362 0.2554
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Onchocerca volvulus 0.0187 0.2114 1
Loa Loa (eye worm) cathepsin B 0.0165 0.1828 0.3429
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0044 0.0259 0.1227
Plasmodium falciparum serine repeat antigen 1 0.0044 0.0259 0.1227
Loa Loa (eye worm) hypothetical protein 0.005 0.0334 0.0626
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.0259 0.0237
Brugia malayi cathepsin L precursor 0.0044 0.0259 0.0486
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Loa Loa (eye worm) hypothetical protein 0.0436 0.5332 1
Plasmodium falciparum serine repeat antigen 4 0.0044 0.0259 0.1227
Trypanosoma cruzi cruzipain precursor, putative 0.0058 0.0435 0.0815
Schistosoma mansoni cathepsin S (C01 family) 0.0044 0.0259 0.0283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.0435 0.0815
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.1011 0.1896
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.1011 0.4054
Echinococcus granulosus expressed conserved protein 0.009 0.0846 0.1235
Loa Loa (eye worm) hypothetical protein 0.0096 0.0921 0.1728
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.1011 0.4195
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.013 0.1362 0.6042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.0289 0.0147
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.0259 0.0237
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0044 0.0259 0.0237
Plasmodium vivax vivapain-2 0.0187 0.2114 1
Onchocerca volvulus 0.013 0.1362 0.6215
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1453 0.242
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.1011 0.1896
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0044 0.0259 0.1227
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Brugia malayi hypothetical protein 0.0147 0.1584 0.297
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus multilocularis cysteine protease 0.0187 0.2114 0.3711
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0214 0.0402
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0044 0.0259 0.0237
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Loa Loa (eye worm) hypothetical protein 0.0048 0.031 0.0581
Loa Loa (eye worm) hypothetical protein 0.013 0.1362 0.2554
Entamoeba histolytica cysteine proteinase, putative 0.013 0.1362 0.5946
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0187 0.2114 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.1224 0.5521
Plasmodium vivax vivapain-3 0.0102 0.1011 0.4784
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0044 0.0259 0.0283
Brugia malayi cathepsin B-like cysteine proteinase 0.0436 0.5332 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Schistosoma mansoni cathepsin C 0.0044 0.0259 0.0283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0436 0.5332 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.1011 0.1896
Loa Loa (eye worm) hypothetical protein 0.0145 0.1562 0.293
Schistosoma mansoni cathepsin B (C01 family) 0.0044 0.0259 0.0283
Plasmodium falciparum serine repeat antigen 9 0.0044 0.0259 0.1227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus granulosus cathepsin b 0.0436 0.5332 1
Plasmodium vivax vivapain-1 0.0102 0.1011 0.4784
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Brugia malayi jmjC domain containing protein 0.0057 0.0423 0.0793
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Brugia malayi cathepsin Z-like cysteine proteinase 0.0044 0.0259 0.0486
Brugia malayi Cathepsin L-like precursor 0.013 0.1362 0.2554
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0187 0.2114 0.3964
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0921 0.357
Toxoplasma gondii cathepsin CPL 0.0187 0.2114 0.2114
Echinococcus granulosus muscleblind protein 0.0145 0.1562 0.2633
Plasmodium falciparum cysteine proteinase falcipain 1 0.0102 0.1011 0.4784
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0921 0.1728
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.1011 0.4054
Loa Loa (eye worm) hypothetical protein 0.0119 0.1224 0.2296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0044 0.0259 0.1227
Giardia lamblia Cathepsin B precursor 0.0165 0.1828 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0921 0.1382
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.1011 0.4054
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0044 0.0259 0.1227
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0436 0.5332 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0034 0.0128 0.024
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0815
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0436 0.5332 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.1828 0.3288
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0187 0.2114 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0044 0.0259 0.0486
Loa Loa (eye worm) hypothetical protein 0.0187 0.2114 0.3964
Brugia malayi fibroinase precursor 0.0044 0.0259 0.0486
Onchocerca volvulus 0.0187 0.2114 1
Brugia malayi Muscleblind-like protein 0.0145 0.1562 0.293
Brugia malayi Papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Echinococcus multilocularis muscleblind protein 0.0145 0.1562 0.2633
Echinococcus granulosus cathepsin L cysteine proteinase 0.0187 0.2114 0.3711
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0044 0.0259 0.0283
Trypanosoma cruzi cruzipain precursor, putative 0.0187 0.2114 0.3964
Onchocerca volvulus Cathepsin L homolog 0.0187 0.2114 1
Echinococcus multilocularis cathepsin b 0.0436 0.5332 1
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0044 0.0259 0.0259
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.1011 0.4195
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0165 0.1828 0.3429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Toxoplasma gondii cathepsin CPC2 0.0044 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Brugia malayi cathepsin L-like precursor 0.013 0.1362 0.2554
Echinococcus granulosus cathepsin L 0.0102 0.1011 0.1557
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Brugia malayi Cathepsin L-like precursor 0.013 0.1362 0.2554
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0044 0.0259 0.1227
Echinococcus multilocularis cathepsin L cysteine protease 0.0187 0.2114 0.3711
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0423 0.0407
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0034 0.0128 0.0604
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0423 0.0596
Plasmodium falciparum cysteine proteinase falcipain 3 0.0187 0.2114 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0165 0.1828 0.865
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Leishmania major ferric reductase, putative 0.0034 0.0128 0.0604
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0044 0.0259 0.1227
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Loa Loa (eye worm) hypothetical protein 0.0147 0.1584 0.297
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0044 0.0259 0.0486
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Onchocerca volvulus Cathepsin F homolog 0.0187 0.2114 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0259 0.0237
Echinococcus multilocularis cathepsin L 0.0102 0.1011 0.1557
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Giardia lamblia Cathepsin B precursor 0.0165 0.1828 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Brugia malayi sulfakinin receptor protein 0.0215 0.2465 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
Brugia malayi cathepsin L-like cysteine proteinase 0.0044 0.0259 0.0486
Onchocerca volvulus Huntingtin homolog 0.0119 0.1224 0.5521
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0423 0.0407
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0102 0.1011 0.1896
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0165 0.1828 0.8498
Brugia malayi Cathepsin L-like cysteine proteinase 0.013 0.1362 0.2554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Brugia malayi hypothetical protein 0.0215 0.2465 0.4622
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Onchocerca volvulus Cathepsin L homolog 0.0044 0.0259 0.0663
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 23 uM Cytotoxicity was measured against MT-4 cells using MTT assay. ChEMBL. 9733490
CC50 (functional) = 23 uM Cytotoxicity was measured against MT-4 cells using MTT assay. ChEMBL. 9733490
IC50 (functional) = 0.8 uM In vitro inhibitory activity for cytopathicities induced by HIV-1III B against MT-4 cells. ChEMBL. 9733490
IC50 (functional) = 0.8 uM In vitro inhibitory activity for cytopathicities induced by HIV-1III B against MT-4 cells. ChEMBL. 9733490

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 9733490

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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