Detailed information for compound 403327

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2544.43 | Formula: C103H159N32O34P5
  • H donors: 16 H acceptors: 24 LogP: -13.58 Rotable bonds: 51
    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)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/C73H84N27O34P5.5C6H15N/c1-31-18-95(73(107)94-64(31)102)47-13-35(41(125-47)19-118-57(32-8-4-2-5-9-32)33-10-6-3-7-11-33)130-136(110,111)120-22-43-37(15-49(127-43)98-28-83-54-61(98)87-70(76)91-66(54)104)133-138(114,115)122-24-45-39(17-51(129-45)100-30-85-56-63(100)89-72(78)93-68(56)106)134-139(116,117)123-23-44-38(16-50(128-44)99-29-84-55-62(99)88-71(77)92-67(55)105)132-137(112,113)121-21-42-36(14-48(126-42)96-26-81-52-58(74)79-25-80-59(52)96)131-135(108,109)119-20-40-34(101)12-46(124-40)97-27-82-53-60(97)86-69(75)90-65(53)103;5*1-4-7(5-2)6-3/h2-11,18,25-30,34-51,57,101H,12-17,19-24H2,1H3,(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H2,74,79,80)(H,94,102,107)(H3,75,86,90,103)(H3,76,87,91,104)(H3,77,88,92,105)(H3,78,89,93,106);5*4-6H2,1-3H3/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+;;;;;/m0...../s1
  • InChiKey: SSFSDWMISPZGPN-ZBMZMOLKSA-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
Echinococcus granulosus cathepsin L 0.0044 0.0259 0.0088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.013 0.1362 0.2554
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.031 0.0581
Schistosoma mansoni cathepsin F (C01 family) 0.013 0.1362 0.2395
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Entamoeba histolytica cysteine proteinase, putative 0.0187 0.2114 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.031 0.0581
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0102 0.1011 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.013 0.1362 0.6042
Brugia malayi Papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Loa Loa (eye worm) hypothetical protein 0.0215 0.2465 0.4622
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Schistosoma mansoni cathepsin s 0.0058 0.0435 0.0619
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0102 0.1011 0.1723
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0044 0.0259 0.1227
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1453 0.242
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
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Brugia malayi Papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Onchocerca volvulus 0.0187 0.2114 1
Loa Loa (eye worm) cysteine protease 0.0187 0.2114 0.3964
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0815
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0044 0.0259 0.0486
Echinococcus multilocularis cysteine protease 0.0187 0.2114 0.3711
Onchocerca volvulus 0.0187 0.2114 1
Brugia malayi hypothetical protein 0.0119 0.1224 0.2296
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0044 0.0259 0.1227
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0044 0.0259 0.1227
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
Brugia malayi CHE-14 protein 0.0041 0.0214 0.0402
Plasmodium falciparum serine repeat antigen 2 0.0044 0.0259 0.1227
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1562 0.2633
Brugia malayi cathepsin F-like cysteine proteinase 0.0058 0.0435 0.0815
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0044 0.0259 0.1227
Entamoeba histolytica cysteine protease, putative 0.0187 0.2114 1
Toxoplasma gondii cathepsin B 0.0165 0.1828 0.1828
Entamoeba histolytica cysteine proteinase 2 0.0102 0.1011 0.4054
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0044 0.0259 0.1227
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Plasmodium falciparum serine repeat antigen 5 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 8 0.0044 0.0259 0.1227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
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
Loa Loa (eye worm) hypothetical protein 0.0436 0.5332 1
Brugia malayi cathepsin L precursor 0.0044 0.0259 0.0486
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.0259 0.0237
Loa Loa (eye worm) hypothetical protein 0.005 0.0334 0.0626
Plasmodium falciparum serine repeat antigen 1 0.0044 0.0259 0.1227
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0044 0.0259 0.1227
Loa Loa (eye worm) cathepsin B 0.0165 0.1828 0.3429
Onchocerca volvulus 0.0187 0.2114 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
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
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0058 0.0435 0.0815
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Plasmodium vivax unspecified product 0.0102 0.1011 0.4784
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
Echinococcus multilocularis expressed conserved protein 0.009 0.0846 0.1235
Plasmodium vivax unspecified product 0.0058 0.0435 0.2056
Loa Loa (eye worm) ctsf protein 0.0187 0.2114 0.3964
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0112 0.0209
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0423 0.0596
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
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0941 0.1588
Entamoeba histolytica cysteine proteinase 1, putative 0.0102 0.1011 0.4054
Echinococcus granulosus cathepsin l1 0.0187 0.2114 0.3711
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Echinococcus granulosus cathepsin L cysteine protease 0.0102 0.1011 0.1557
Echinococcus multilocularis cathepsin L cysteine protease 0.0187 0.2114 0.3711
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0044 0.0259 0.1227
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0034 0.0128 0.024
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Brugia malayi Cathepsin L-like precursor 0.0058 0.0435 0.0815
Trypanosoma cruzi cysteine protease, putative 0.0102 0.1011 0.1896
Onchocerca volvulus 0.0187 0.2114 1
Trypanosoma cruzi cysteine proteinase, putative 0.0102 0.1011 0.1896
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0044 0.0259 0.1227
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.1011 0.4784
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0044 0.0259 0.0486
Loa Loa (eye worm) hypothetical protein 0.0119 0.1224 0.2296
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0921 0.1382
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.031 0.0581
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Plasmodium falciparum serine repeat antigen 7 0.0044 0.0259 0.1227
Loa Loa (eye worm) hypothetical protein 0.0033 0.0112 0.0209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Plasmodium vivax unspecified product 0.0044 0.0259 0.1227
Brugia malayi cathepsin Z-like cysteine proteinase 0.0044 0.0259 0.0486
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Onchocerca volvulus 0.0187 0.2114 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0044 0.0259 0.1227
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0815
Leishmania major cysteine peptidase A (CPA) 0.0187 0.2114 1
Echinococcus multilocularis 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
Echinococcus granulosus cathepsin l cysteine peptidase 0.0187 0.2114 0.3711
Brugia malayi jmjC domain containing protein 0.0057 0.0423 0.0793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Loa Loa (eye worm) fibroinase 0.0187 0.2114 0.3964
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0436 0.5332 1
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Schistosoma mansoni cathepsin F (C01 family) 0.0187 0.2114 0.3835
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Loa Loa (eye worm) hypothetical protein 0.0145 0.1562 0.293
Loa Loa (eye worm) hypothetical protein 0.013 0.1362 0.2554
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
Onchocerca volvulus 0.0147 0.1584 0.7332
Loa Loa (eye worm) blistered cuticle protein 3 0.0034 0.0128 0.024
Loa Loa (eye worm) hypothetical protein 0.0041 0.0214 0.0402
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
Echinococcus multilocularis cathepsin b 0.0436 0.5332 1
Plasmodium falciparum serine repeat antigen 6 0.0044 0.0259 0.1227
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0423 0.0793
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0423 0.0407
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Brugia malayi Cathepsin L-like precursor 0.0187 0.2114 0.3964
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
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0044 0.0259 0.0283
Plasmodium falciparum serine repeat antigen 3 0.0044 0.0259 0.1227
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Echinococcus multilocularis cathepsin L 0.0044 0.0259 0.0088
Onchocerca volvulus 0.0187 0.2114 1
Schistosoma mansoni cathepsin F (C01 family) 0.0187 0.2114 0.3835
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0044 0.0259 0.0486
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0187 0.2114 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Onchocerca volvulus 0.0044 0.0259 0.0663
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0436 0.5332 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Brugia malayi Blistered cuticle protein 3 0.0034 0.0128 0.024
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0259 0.0237
Echinococcus granulosus cysteine protease 0.0102 0.1011 0.1557
Toxoplasma gondii cathepsin CPC1 0.0044 0.0259 0.0259
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0187 0.2114 0.3711
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0165 0.1828 0.865
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0044 0.0259 0.0486
Schistosoma mansoni patched 1 0.0041 0.0214 0.0197
Giardia lamblia Cathepsin B precursor 0.0165 0.1828 1
Plasmodium vivax vivapain-2 0.0187 0.2114 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0044 0.0259 0.1227
Onchocerca volvulus Cathepsin L homolog 0.0187 0.2114 1
Entamoeba histolytica cysteine proteinase, putative 0.0187 0.2114 1
Trypanosoma cruzi cysteine peptidase, putative 0.0187 0.2114 0.3964
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Echinococcus multilocularis cathepsin b 0.0436 0.5332 1
Trypanosoma cruzi cruzipain precursor, putative 0.0187 0.2114 0.3964
Onchocerca volvulus Cathepsin L homolog 0.0187 0.2114 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0044 0.0259 0.0283
Echinococcus granulosus cathepsin L cysteine proteinase 0.0187 0.2114 0.3711
Echinococcus multilocularis muscleblind protein 0.0145 0.1562 0.2633
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
Onchocerca volvulus 0.0187 0.2114 1
Brugia malayi fibroinase precursor 0.0044 0.0259 0.0486
Loa Loa (eye worm) hypothetical protein 0.0187 0.2114 0.3964
Trypanosoma cruzi major cysteine proteinase, putative 0.0044 0.0259 0.0486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0187 0.2114 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.1828 0.3288
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0436 0.5332 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Loa Loa (eye worm) hypothetical protein 0.0058 0.0435 0.0815
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0034 0.0128 0.024
Brugia malayi Cathepsin L-like precursor 0.013 0.1362 0.2554
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Echinococcus granulosus cathepsin L 0.0102 0.1011 0.1557
Brugia malayi cathepsin L-like precursor 0.013 0.1362 0.2554
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Toxoplasma gondii cathepsin CPC2 0.0044 0.0259 0.0259
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0165 0.1828 0.3429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.1011 0.4195
Toxoplasma gondii preprocathepsin c precursor, putative 0.0044 0.0259 0.0259
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
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
Echinococcus multilocularis cathepsin L 0.0102 0.1011 0.1557
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0259 0.0237
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Onchocerca volvulus Cathepsin F homolog 0.0187 0.2114 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0044 0.0259 0.0486
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Loa Loa (eye worm) hypothetical protein 0.0147 0.1584 0.297
Schistosoma mansoni hypothetical protein 0.004 0.0195 0.016
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0044 0.0259 0.1227
Leishmania major ferric reductase, putative 0.0034 0.0128 0.0604
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trypanosoma brucei cysteine peptidase C (CPC) 0.0165 0.1828 0.865
Plasmodium falciparum cysteine proteinase falcipain 3 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
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0034 0.0128 0.0604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0423 0.0407
Echinococcus multilocularis cathepsin L cysteine protease 0.0187 0.2114 0.3711
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0044 0.0259 0.1227
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Onchocerca volvulus Cathepsin L homolog 0.0044 0.0259 0.0663
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
Brugia malayi hypothetical protein 0.0215 0.2465 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0165 0.1828 0.8498
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0102 0.1011 0.1896
Brugia malayi Cathepsin L-like cysteine proteinase 0.013 0.1362 0.2554
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0423 0.0407
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
Brugia malayi cathepsin L-like cysteine proteinase 0.0044 0.0259 0.0486
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.0259 0.0237
Brugia malayi sulfakinin receptor protein 0.0215 0.2465 0.4622
Leishmania major cathepsin L-like protease 0.0187 0.2114 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.0259 0.0283
Onchocerca volvulus 0.013 0.1362 0.6215
Plasmodium vivax vivapain-2 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0044 0.0259 0.0237
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0044 0.0259 0.0237
Echinococcus multilocularis protein dispatched 1 0.0047 0.0289 0.0147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-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 or K-like cysteine peptidase 0.0187 0.2114 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.1011 0.4195
Loa Loa (eye worm) hypothetical protein 0.0096 0.0921 0.1728
Echinococcus granulosus expressed conserved protein 0.009 0.0846 0.1235
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.1011 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.1011 0.1896
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.0435 0.0815
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Schistosoma mansoni cathepsin S (C01 family) 0.0044 0.0259 0.0283
Trypanosoma cruzi cruzipain precursor, putative 0.0058 0.0435 0.0815
Plasmodium falciparum serine repeat antigen 4 0.0044 0.0259 0.1227
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0044 0.0259 0.0237
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0214 0.0402
Echinococcus multilocularis cysteine protease 0.0187 0.2114 0.3711
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0044 0.0259 0.0237
Brugia malayi hypothetical protein 0.0147 0.1584 0.297
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0044 0.0259 0.1227
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.1011 0.1896
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1453 0.242
Brugia malayi cathepsin Z-like cysteine proteinase 0.0044 0.0259 0.0486
Loa Loa (eye worm) hypothetical protein 0.0044 0.0259 0.0486
Brugia malayi jmjC domain containing protein 0.0057 0.0423 0.0793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0187 0.2114 1
Plasmodium vivax vivapain-1 0.0102 0.1011 0.4784
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
Plasmodium falciparum serine repeat antigen 9 0.0044 0.0259 0.1227
Schistosoma mansoni cathepsin B (C01 family) 0.0044 0.0259 0.0283
Loa Loa (eye worm) hypothetical protein 0.0145 0.1562 0.293
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.1011 0.1896
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0436 0.5332 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.0259 0.0237
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
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
Brugia malayi cathepsin B-like cysteine proteinase 0.0436 0.5332 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0044 0.0259 0.0283
Plasmodium vivax vivapain-3 0.0102 0.1011 0.4784
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0187 0.2114 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.1224 0.5521
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Loa Loa (eye worm) hypothetical protein 0.013 0.1362 0.2554
Entamoeba histolytica cysteine proteinase, putative 0.013 0.1362 0.5946
Loa Loa (eye worm) hypothetical protein 0.0048 0.031 0.0581
Entamoeba histolytica cysteine protease, putative 0.0102 0.1011 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0436 0.5332 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0044 0.0259 0.1227
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.1011 0.4054
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0921 0.1382
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
Plasmodium vivax serine-repeat antigen (SERA) 0.0044 0.0259 0.1227
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0187 0.2114 1
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
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
Plasmodium falciparum cysteine proteinase falcipain 1 0.0102 0.1011 0.4784
Echinococcus granulosus muscleblind protein 0.0145 0.1562 0.2633
Toxoplasma gondii cathepsin CPL 0.0187 0.2114 0.2114
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
Brugia malayi Cathepsin L-like precursor 0.013 0.1362 0.2554

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 40 uM Cytotoxicity was measured against MT-4 cells using MTT assay. ChEMBL. 9733490
CC50 (functional) > 40 uM Cytotoxicity was measured against MT-4 cells using MTT assay. ChEMBL. 9733490
IC50 (functional) = 4.3 uM In vitro inhibitory activity for cytopathicities induced by HIV-1III B against MT-4 cells. ChEMBL. 9733490
IC50 (functional) = 4.3 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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