Detailed information for compound 337916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 861.129 | Formula: C41H50ClInN4O7
  • H donors: 0 H acceptors: 2 LogP: 5.36 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCOCCOCCOC(c1c(C)c2=CC3=[N+]4[In-2]56(n2c1=CC1=[N+]5C(=Cc2n6c5C(=C4[C@H]([C@@H]3C)CCC(=O)OC)CC(=O)c5c2C)C(=C1C)CC)Cl)C
  • InChi: 1S/C41H51N4O7.ClH.In/c1-9-27-22(2)30-21-35-38(26(6)52-17-16-51-15-14-50-13-12-48-7)24(4)32(43-35)19-31-23(3)28(10-11-37(47)49-8)40(44-31)29-18-36(46)39-25(5)33(45-41(29)39)20-34(27)42-30;;/h19-21,23,26,28H,9-18H2,1-8H3,(H-,42,43,44,45,46);1H;/q-1;;+3/p-2/t23-,26?,28-;;/m0../s1
  • InChiKey: PLTGAJGCUUMDJZ-ICUMOGMHSA-L  


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
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0264 0.0304
Echinococcus granulosus glycoprotein Antigen 5 0.001 0.0191 0.0191
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0192 0.8541 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.009 0.3864 0.4521
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Echinococcus granulosus mitogen activated protein kinase 14 0.0066 0.2764 0.2764
Trypanosoma cruzi cysteine proteinase, putative 0.0011 0.0243 0.0221
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0012 0.0264 0.0304
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Entamoeba histolytica cysteine proteinase, putative 0.0015 0.04 0.2045
Trypanosoma cruzi cysteine proteinase, putative 0.0011 0.0243 0.0221
Schistosoma mansoni carbonic anhydrase-related 0.009 0.3864 0.4521
Toxoplasma gondii microneme protein MIC17C 0.0009 0.014 0.0218
Schistosoma mansoni carbonic anhydrase-related 0.009 0.3864 0.4521
Brugia malayi Cathepsin L-like precursor 0.0022 0.0735 0.0856
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.001 0.0191 0.0218
Toxoplasma gondii PAN domain-containing protein 0.0009 0.014 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni hypothetical protein 0.001 0.0191 0.0218
Echinococcus multilocularis glycoprotein Antigen 5 0.001 0.0191 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Toxoplasma gondii microneme protein MIC17A 0.0009 0.014 0.0218
Loa Loa (eye worm) hypothetical protein 0.0011 0.0229 0.0263
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0037 0.1407 0.1643
Echinococcus granulosus defective proboscis extension response 0.0006 0.0007 0.0007
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0031 0.1134 0.2072
Brugia malayi Tyrosine-protein kinase abl-1 0.0057 0.2331 0.2725
Loa Loa (eye worm) hypothetical protein 0.0009 0.0138 0.0157
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0009 0.014 0.0218
Schistosoma mansoni hypothetical protein 0.001 0.0191 0.0218
Toxoplasma gondii PAN domain-containing protein 0.0009 0.014 0.0218
Toxoplasma gondii microneme protein, putative 0.0009 0.014 0.0218
Loa Loa (eye worm) hypothetical protein 0.0031 0.1134 0.1323
Onchocerca volvulus 0.0009 0.014 0.0659
Loa Loa (eye worm) fibroinase 0.0022 0.0735 0.0856
Echinococcus multilocularis tyrosine protein kinase Abl 0.0057 0.2331 0.2725
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Brugia malayi cathepsin F-like cysteine proteinase 0.0007 0.0056 0.006
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0192 0.8541 1
Echinococcus granulosus carbonic anhydrase 0.009 0.3864 0.3864
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Brugia malayi Immunoglobulin I-set domain containing protein 0.0006 0.0007 0.0003
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.009 0.3864 0.4521
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.001 0.0191 0.0218
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0037 0.1407 0.1407
Leishmania major glycerol uptake protein, putative 0.0028 0.1008 0.035
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0028 0.1008 0.1176
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0037 0.1407 0.1643
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0028 0.1008 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0056 0.006
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0011 0.0243 0.028
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0735 0.6426
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0011 0.0243 0.028
Loa Loa (eye worm) hypothetical protein 0.0028 0.1008 0.1176
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0735 0.0856
Toxoplasma gondii PAN domain-containing protein 0.0142 0.6234 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0191 0.0218
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0192 0.8541 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.001 0.0191 0.0191
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0037 0.1407 0.1643
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Loa Loa (eye worm) hypothetical protein 0.0007 0.0056 0.006
Schistosoma mansoni nephrin 0.0007 0.0063 0.0069
Loa Loa (eye worm) TK protein kinase 0.0044 0.1748 0.2042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Echinococcus multilocularis Immunoglobulin 0.0006 0.0007 0.0003
Onchocerca volvulus 0.0022 0.0735 0.3551
Loa Loa (eye worm) hypothetical protein 0.009 0.3864 0.4521
Onchocerca volvulus 0.0009 0.014 0.0659
Echinococcus multilocularis carbonic anhydrase II 0.0192 0.8541 1
Echinococcus granulosus plexin a4 0.0011 0.0214 0.0214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Loa Loa (eye worm) hypothetical protein 0.0012 0.029 0.0335
Loa Loa (eye worm) hypothetical protein 0.0051 0.2062 0.241
Echinococcus multilocularis cathepsin L 0.0011 0.0243 0.028
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.001 0.0191 0.0218
Loa Loa (eye worm) hhat protein 0.0028 0.1008 0.1176
Echinococcus multilocularis mitogen activated protein kinase 11 0.0066 0.2764 0.3233
Onchocerca volvulus 0.001 0.0191 0.0906
Onchocerca volvulus 0.0009 0.014 0.0659
Trypanosoma cruzi glycerol uptake protein, putative 0.0028 0.1008 0.1123
Entamoeba histolytica vacuolar protein sorting 26 0.0028 0.1008 1
Brugia malayi Fibronectin type III domain containing protein 0.0006 0.0007 0.0003
Brugia malayi Kringle domain containing protein 0.0031 0.1134 0.1323
Brugia malayi hypothetical protein 0.001 0.0191 0.0218
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0137 0.6027 0.7055
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0028 0.1008 0.1176
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.009 0.3864 0.4521
Brugia malayi Cathepsin L-like precursor 0.0022 0.0735 0.0856
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.1134 0.127
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0028 0.1008 0.1008
Schistosoma mansoni tyrosine kinase 0.0136 0.5937 0.695
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0028 0.1008 0.1176
Onchocerca volvulus 0.0009 0.014 0.0659
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.04 0.2045
Brugia malayi P38 map kinase family protein 2 0.0066 0.2764 0.3233
Echinococcus multilocularis mitogen activated protein kinase 14 0.0066 0.2764 0.3233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0121 0.5258 1
Onchocerca volvulus 0.0009 0.0138 0.065
Brugia malayi Cytochrome P450 family protein 0.0028 0.1012 0.118
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0066 0.2764 0.3192
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Loa Loa (eye worm) cysteine protease 0.0022 0.0735 0.0856
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0735 0.08
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0735 0.08
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.001 0.0191 0.0218
Brugia malayi MBOAT family protein 0.0028 0.1008 0.1176
Loa Loa (eye worm) trypsin family protein 0.001 0.0191 0.0218
Brugia malayi Protein kinase domain containing protein 0.0033 0.1225 0.143
Brugia malayi Trypsin family protein 0.0051 0.2062 0.241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0028 0.1008 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0051 0.2062 0.241
Schistosoma mansoni carbonic anhydrase 0.009 0.3864 0.4521
Echinococcus granulosus twitchin 0.0008 0.0074 0.0074
Brugia malayi Cathepsin L-like precursor 0.0022 0.0735 0.0856
Schistosoma mansoni hypothetical protein 0.0028 0.1008 0.1176
Onchocerca volvulus 0.0022 0.0735 0.3551
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0735 0.6426
Loa Loa (eye worm) hhat protein 0.0028 0.1008 0.1176
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Loa Loa (eye worm) hypothetical protein 0.0007 0.0056 0.006
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Toxoplasma gondii hypothetical protein 0.009 0.3864 0.6196
Schistosoma mansoni zinc finger protein 0.0028 0.1008 0.1176
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0121 0.5258 0.6154
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Onchocerca volvulus 0.0009 0.014 0.0659
Toxoplasma gondii hypothetical protein 0.0009 0.014 0.0218
Brugia malayi MBOAT family protein 0.0028 0.1008 0.1176
Echinococcus multilocularis plexin a4 0.0011 0.0214 0.0246
Loa Loa (eye worm) hypothetical protein 0.009 0.3864 0.4521
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0735 0.0856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0011 0.0243 0.028
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0735 0.0856
Trypanosoma brucei glycerol uptake protein, putative 0.0028 0.1008 0.0922
Onchocerca volvulus Cathepsin F homolog 0.0022 0.0735 0.3551
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.0735 0.0856
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Loa Loa (eye worm) hypothetical protein 0.0028 0.1008 0.1176
Toxoplasma gondii microneme protein MIC4 0.0009 0.014 0.0218
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0043 0.1691 0.1976
Loa Loa (eye worm) TK/ROR protein kinase 0.0034 0.1282 0.1497
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0042 0.1641 0.1641
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0192 0.8541 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0137 0.6027 0.6027
Onchocerca volvulus 0.0031 0.1134 0.5489
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.0735 0.0735
Onchocerca volvulus 0.0022 0.0735 0.3551
Echinococcus multilocularis enteropeptidase 0.001 0.0191 0.0218
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0735 0.0856
Echinococcus granulosus o acyltransferase membrane bound domain 0.0028 0.1008 0.1008
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Loa Loa (eye worm) hypothetical protein 0.0022 0.0735 0.0856
Plasmodium vivax vivapain-2 0.0022 0.0735 0.1305
Toxoplasma gondii cathepsin CPL 0.0022 0.0735 0.1173
Loa Loa (eye worm) PAN domain-containing protein 0.0009 0.014 0.0159
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0028 0.1008 0.1008
Plasmodium falciparum cysteine repeat modular protein 1 0.0031 0.1134 0.1776
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0121 0.5258 0.8433
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0028 0.1008 0.1176
Echinococcus granulosus cathepsin l1 0.0022 0.0735 0.0735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1008 1
Plasmodium vivax vivapain-3 0.0011 0.0243 0.036
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni hypothetical protein 0.009 0.3864 0.4521
Onchocerca volvulus 0.0009 0.014 0.0659
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Echinococcus granulosus fibroblast growth factor receptor 4 0.0043 0.1691 0.1691
Schistosoma mansoni cathepsin s 0.0007 0.0056 0.006
Echinococcus multilocularis sterol O acyltransferase 1 0.0028 0.1008 0.1176
Loa Loa (eye worm) ctsf protein 0.0022 0.0735 0.0856
Echinococcus multilocularis cysteine protease 0.0022 0.0735 0.0856
Brugia malayi Plexin repeat family protein 0.0009 0.0138 0.0157
Entamoeba histolytica hypothetical protein, conserved 0.0028 0.1008 1
Echinococcus multilocularis carbonic anhydrase 0.009 0.3864 0.4521
Toxoplasma gondii hypothetical protein 0.0009 0.014 0.0218
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0192 0.8541 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Echinococcus granulosus o acyltransferase membrane bound domain 0.0028 0.1008 0.1008
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0028 0.1008 0.1176
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0243 0.028
Loa Loa (eye worm) hypothetical protein 0.0093 0.397 0.4646
Brugia malayi Trypsin family protein 0.001 0.0191 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.04 0.2045
Brugia malayi cathepsin L-like precursor 0.0015 0.04 0.0463
Loa Loa (eye worm) carbonic anhydrase 3 0.0192 0.8541 1
Echinococcus granulosus carbonic anhydrase 0.009 0.3864 0.3864
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0042 0.1641 0.1917
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Echinococcus granulosus o acyltransferase membrane bound domain 0.0028 0.1008 0.1008
Trypanosoma cruzi cysteine peptidase, putative 0.0011 0.0243 0.0221
Onchocerca volvulus 0.0022 0.0735 0.3551
Brugia malayi Cathepsin L-like precursor 0.0015 0.04 0.0463
Loa Loa (eye worm) hypothetical protein 0.001 0.0191 0.0218
Onchocerca volvulus Cathepsin L homolog 0.0022 0.0735 0.3551
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.0735 0.08
Onchocerca volvulus 0.001 0.0191 0.0906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Trypanosoma cruzi glycerol uptake protein, putative 0.0028 0.1008 0.1123
Leishmania major glycerol uptake protein, putative 0.0028 0.1008 0.035
Toxoplasma gondii PAN domain-containing protein 0.0142 0.6234 1
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.001 0.0191 0.0218
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0007 0.0056 0.006
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0192 0.8541 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0003
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.001 0.0191 0.0191
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0042 0.1641 0.2627
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.001 0.0191 0.0218
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.0735 0.0735
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0028 0.1008 1
Loa Loa (eye worm) PAN domain-containing protein 0.0009 0.014 0.0159
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Brugia malayi Cathepsin L-like precursor 0.0015 0.04 0.0463
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0735 0.0856
Brugia malayi Cathepsin L-like precursor 0.0022 0.0735 0.0856
Schistosoma mansoni plexin 0.0009 0.0138 0.0157
Loa Loa (eye worm) hypothetical protein 0.0028 0.1008 0.1176
Treponema pallidum alginate O-acetylation protein (algI) 0.0028 0.1008 0.5
Toxoplasma gondii PAN domain-containing protein 0.0009 0.014 0.0218
Brugia malayi hypothetical protein 0.0006 0.0007 0.0003
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.009 0.3864 0.4521
Onchocerca volvulus 0.0009 0.014 0.0659
Echinococcus multilocularis carbonic anhydrase 0.009 0.3864 0.4521
Echinococcus granulosus neuroglian 0.0007 0.0063 0.0063
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0028 0.1008 0.1008
Loa Loa (eye worm) MBOAT family protein 0.0028 0.1008 0.1176
Brugia malayi Hhat protein 0.0028 0.1008 0.1176
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Plasmodium vivax unspecified product 0.0011 0.0243 0.036
Schistosoma mansoni tyrosine kinase 0.0007 0.0034 0.0035
Schistosoma mansoni sterol O-acyltransferase 1 0.0028 0.1008 0.1176
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0028 0.1008 0.1176
Echinococcus granulosus Tolloid protein 1 0.0006 0.0004 0.0004
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.001 0.0191 0.0218
Onchocerca volvulus Cathepsin L homolog 0.0022 0.0735 0.3551
Echinococcus granulosus tissue type plasminogen activator 0.0031 0.1134 0.1134
Brugia malayi Trypsin-like protease protein 5 0.001 0.0191 0.0218
Schistosoma mansoni hypothetical protein 0.0031 0.1134 0.1323
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0066 0.2764 0.3192
Trypanosoma brucei glycerol uptake protein, putative 0.0028 0.1008 0.0922
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0006 0.0007 0.0003
Echinococcus multilocularis mitogen activated protein kinase 11 0.0066 0.2764 0.3233
Loa Loa (eye worm) PAN domain-containing protein 0.0009 0.014 0.0159
Toxoplasma gondii microneme protein MIC17B 0.0009 0.014 0.0218
Loa Loa (eye worm) hypothetical protein 0.001 0.0191 0.0218
Onchocerca volvulus 0.0009 0.014 0.0659
Brugia malayi MBOAT family protein 0.0028 0.1008 0.1176
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.001 0.0191 0.0218
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0735 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1008 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0066 0.2764 0.3233
Loa Loa (eye worm) plexin A 0.0011 0.0214 0.0246
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0042 0.1641 0.1917
Leishmania major glycerol uptake protein, putative 0.0028 0.1008 0.035
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.0735 0.0856
Loa Loa (eye worm) MBOAT family protein 0.0028 0.1008 0.1176
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0003
Loa Loa (eye worm) hypothetical protein 0.0042 0.1641 0.1917
Plasmodium falciparum carbonic anhydrase 0.009 0.3864 0.722
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0042 0.1641 0.1641
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0243 0.028
Brugia malayi Cathepsin L-like precursor 0.0022 0.0735 0.0856
Echinococcus granulosus cysteine protease 0.0011 0.0243 0.0243
Echinococcus granulosus roundabout 2 0.0011 0.0229 0.0229
Trichomonas vaginalis transmembrane protein nessy, putative 0.0028 0.1008 1
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Toxoplasma gondii subtilisin SUB12 0.0009 0.014 0.0218
Onchocerca volvulus 0.0022 0.0735 0.3551
Onchocerca volvulus 0.0009 0.014 0.0659
Brugia malayi Immunoglobulin I-set domain containing protein 0.0044 0.1748 0.2042
Leishmania major hypothetical protein, conserved 0.0031 0.1134 0.0511
Echinococcus multilocularis carbonic anhydrase 0.009 0.3864 0.4521
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0028 0.1008 0.1176
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Echinococcus multilocularis transmembrane protease serine 3 0.001 0.0191 0.0218
Trichomonas vaginalis porcupine, putative 0.0028 0.1008 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0121 0.5258 0.6154
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0042 0.1641 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0015 0.04 0.0405
Loa Loa (eye worm) PAN domain-containing protein 0.0009 0.014 0.0159
Loa Loa (eye worm) hypothetical protein 0.0015 0.04 0.0463
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1008 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0066 0.2764 0.3233
Echinococcus granulosus carbonic anhydrase II 0.0192 0.8541 0.8541
Echinococcus granulosus enteropeptidase 0.001 0.0191 0.0191
Echinococcus granulosus carbonic anhydrase 0.009 0.3864 0.3864
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0043 0.1691 0.1691
Onchocerca volvulus 0.001 0.0191 0.0906
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0043 0.1691 0.1976
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0028 0.1008 0.1176
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0042 0.1641 0.1917
Echinococcus multilocularis Immunoglobulin 0.0006 0.0007 0.0003
Onchocerca volvulus 0.001 0.0191 0.0906
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Toxoplasma gondii PAN domain-containing protein 0.0009 0.014 0.0218
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.1012 0.118
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.04 0.0463
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0006 0.0007 0.0003
Echinococcus granulosus Mastin 0.001 0.0191 0.0191
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0022 0.0735 0.0981
Onchocerca volvulus 0.0022 0.0735 0.3551
Echinococcus multilocularis tissue type plasminogen activator 0.0031 0.1134 0.1323
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.0735 0.0856
Entamoeba histolytica hypothetical protein 0.0028 0.1008 1
Onchocerca volvulus 0.0015 0.04 0.1921
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Brugia malayi Cathepsin L-like precursor 0.0007 0.0056 0.006
Mycobacterium ulcerans hypothetical protein 0.001 0.0191 0.5
Trypanosoma cruzi GUP1, putative 0.0028 0.1008 0.1123
Brugia malayi plexin A 0.0011 0.0214 0.0246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0735 0.0593
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Plasmodium falciparum cysteine proteinase falcipain 3 0.0022 0.0735 0.0981
Loa Loa (eye worm) hypothetical protein 0.0028 0.1008 0.1176
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0735 0.0856
Echinococcus multilocularis cysteine protease 0.0022 0.0735 0.0856
Echinococcus multilocularis roundabout 2 0.0011 0.0229 0.0263
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0028 0.1008 0.1176
Leishmania major glycerol uptake protein, putative 0.0028 0.1008 0.035
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Loa Loa (eye worm) hypothetical protein 0.0053 0.2154 0.2519
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0121 0.5258 0.5258
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0011 0.0243 0.0221
Trypanosoma cruzi cysteine protease, putative 0.0011 0.0243 0.0221
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0051 0.2062 0.241
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0121 0.5258 1
Plasmodium vivax vivapain-2 0.0022 0.0735 0.1305
Loa Loa (eye worm) hypothetical protein 0.0015 0.04 0.0463
Loa Loa (eye worm) MBOAT family protein 0.0028 0.1008 0.1176
Loa Loa (eye worm) TK/ABL protein kinase 0.0137 0.6027 0.7055
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0735 0.08
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni tyrosine kinase 0.0043 0.1691 0.1976
Brugia malayi MBOAT family protein 0.0028 0.1008 0.1176
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0735 0.6426
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0007 0.0056 0.006
Onchocerca volvulus 0.0028 0.1008 0.488
Onchocerca volvulus 0.0041 0.1592 0.7715
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Loa Loa (eye worm) hypothetical protein 0.0015 0.04 0.0463
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0028 0.1008 0.1008
Onchocerca volvulus 0.0051 0.2062 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.001 0.0191 0.0218
Onchocerca volvulus 0.0009 0.014 0.0659
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0735 0.6426
Onchocerca volvulus 0.0022 0.0735 0.3551
Brugia malayi Cathepsin L-like cysteine proteinase 0.0015 0.04 0.0463
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0003
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Brugia malayi Tyrosine-protein kinase abl-1 0.0082 0.3504 0.4099
Leishmania major hypothetical protein, conserved 0.0028 0.1008 0.035
Echinococcus granulosus cathepsin l1 0.0015 0.04 0.04
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0066 0.2764 0.3039
Onchocerca volvulus 0.0009 0.014 0.0659
Brugia malayi Trypsin family protein 0.001 0.0191 0.0218
Schistosoma mansoni carbonic anhydrase-related 0.009 0.3864 0.4521
Brugia malayi Cathepsin L-like precursor 0.0022 0.0735 0.0856
Echinococcus granulosus sterol O acyltransferase 1 0.0028 0.1008 0.1008
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.009 0.3864 0.4521
Echinococcus granulosus laminin 0.0006 0.0004 0.0004
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0028 0.1008 0.1176
Loa Loa (eye worm) hypothetical protein 0.0011 0.0229 0.0263
Echinococcus granulosus mitogen activated protein kinase 11 0.0066 0.2764 0.2764
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Schistosoma mansoni cell adhesion molecule 0.001 0.0172 0.0197
Toxoplasma gondii hypothetical protein 0.0028 0.1008 0.1612
Echinococcus multilocularis neuroglian 0.0007 0.0063 0.0069
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.009 0.3864 0.4521
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0006 0.0007 0.0003
Schistosoma mansoni vesicular amine transporter 0.0006 0.0007 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Trypanosoma brucei carbonic anhydrase-like protein 0.0192 0.8541 1
Echinococcus granulosus cathepsin L cysteine protease 0.0011 0.0243 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Leishmania major carbonic anhydrase-like protein 0.0192 0.8541 1
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Trypanosoma cruzi glycerol uptake protein, putative 0.0028 0.1008 0.1123
Echinococcus granulosus Immunoglobulin 0.0006 0.0007 0.0007
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0028 0.1008 0.1176
Onchocerca volvulus 0.001 0.0191 0.0906
Loa Loa (eye worm) hypothetical protein 0.001 0.0191 0.0218
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0192 0.8541 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.014 0.0159
Brugia malayi Trypsin family protein 0.001 0.0191 0.0218
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0003
Loa Loa (eye worm) hypothetical protein 0.009 0.3864 0.4521
Loa Loa (eye worm) hypothetical protein 0.001 0.0191 0.0218
Echinococcus multilocularis Mastin 0.001 0.0191 0.0218
Loa Loa (eye worm) PAN domain-containing protein 0.0009 0.014 0.0159
Loa Loa (eye worm) hypothetical protein 0.001 0.0172 0.0197
Schistosoma mansoni cercarial elastase (S01 family) 0.001 0.0191 0.0218
Entamoeba histolytica cysteine protease, putative 0.0022 0.0735 0.6426
Brugia malayi MBOAT family protein 0.0028 0.1008 0.1176
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.001 0.0172 0.0172
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0022 0.0735 0.0981
Echinococcus granulosus transmembrane protease serine 3 0.001 0.0191 0.0191
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Brugia malayi diacylglycerol acyltransferase 0.0121 0.5258 0.6154
Trypanosoma cruzi GUP1, putative 0.0028 0.1008 0.1123
Leishmania major glycerol uptake protein, putative 0.0028 0.1008 0.035
Loa Loa (eye worm) hypothetical protein 0.0051 0.2062 0.241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0028 0.1008 0.1176
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0028 0.1008 0.1176
Plasmodium vivax vivapain-1 0.0011 0.0243 0.036
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0121 0.5258 0.6154
Echinococcus granulosus cathepsin L 0.0011 0.0243 0.0243
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0121 0.5258 0.8433
Toxoplasma gondii kringle domain-containing protein 0.0031 0.1134 0.1813
Toxoplasma gondii PAN/Apple domain-containing protein 0.0009 0.014 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0735 0.6426
Brugia malayi PAN domain containing protein 0.0009 0.014 0.0159
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0066 0.2764 0.26

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.00001047 M Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor ChEMBL. 15916419
LD50 (functional) = 0.02 J/cm2 In vitro photodynamic therapy efficacy of the compound (0.06 uM) in RIF tumor cells using MTT assay; expressed as light dose ChEMBL. 15916419

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

1 literature reference was collected for this gene.

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