Detailed information for compound 508675

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.62 | Formula: C30H36N2O
  • H donors: 1 H acceptors: 1 LogP: 6.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(nc2c1C(CCC2)N[C@H]1CCCc2c1cccc2)c1c(CC)cccc1CC
  • InChi: 1S/C30H36N2O/c1-4-20-12-8-13-21(5-2)29(20)27-19-28(33-3)30-25(17-10-18-26(30)32-27)31-24-16-9-14-22-11-6-7-15-23(22)24/h6-8,11-13,15,19,24-25,31H,4-5,9-10,14,16-18H2,1-3H3/t24-,25?/m0/s1
  • InChiKey: RPWRCPNRVFIHNA-SKCDSABHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens complement component 5a receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis G-protein coupled receptor, putative complement component 5a receptor 1 350 aa 293 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0034 0.0274 0.1071
Schistosoma mansoni lozenge 0.0059 0.0712 0.0849
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0041 0.0396 0.0472
Echinococcus multilocularis lysosomal alpha glucosidase 0.0351 0.5906 0.8389
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0396 0.12
Echinococcus granulosus intermediate filament protein 0.0027 0.0155 0.0221
Brugia malayi jmjC domain containing protein 0.0131 0.1995 0.2499
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0041 0.0396 0.12
Plasmodium vivax SET domain protein, putative 0.006 0.0737 1
Loa Loa (eye worm) phosphofructokinase 0.0128 0.1947 0.2321
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0037 0.0333 0.0473
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0274 0.0389
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0402 0.048
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.07 0.3454
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.111 0.139
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Schistosoma mansoni hypothetical protein 0.004 0.0384 0.0457
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0396 0.5186
Schistosoma mansoni ap endonuclease 0.0041 0.0402 0.048
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.0185 0.0111
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0041 0.0396 0.0387
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0396 0.12
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0041 0.0396 0.201
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0274 0.0505
Onchocerca volvulus 0.0468 0.7981 0.9997
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0714 0.0851
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0396 0.201
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0253 0.0301
Brugia malayi 6-phosphofructokinase 0.0128 0.1947 0.2439
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0396 0.49
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0285 0.0221
Trypanosoma brucei unspecified product 0.0036 0.0316 0.1598
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0078 0.1053 0.5214
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0274 0.1379
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0402 0.5282
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0422 0.2072
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0075 0.0049
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Echinococcus multilocularis muscleblind protein 0.0152 0.2361 0.3354
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0041 0.0396 0.0563
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0041 0.0396 0.0497
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Echinococcus multilocularis jun protein 0.0196 0.3149 0.4472
Echinococcus granulosus phd:f box containing protein 0.0034 0.0274 0.0389
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0075 0.034
Treponema pallidum fructose-bisphosphate aldolase 0.0582 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0284 0.4716 0.6121
Schistosoma mansoni hypothetical protein 0.0415 0.704 0.8391
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0351 0.5906 0.7039
Loa Loa (eye worm) hypothetical protein 0.006 0.0737 0.0878
Schistosoma mansoni lamin 0.0027 0.0155 0.0185
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0334
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0274 0.0326
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.1947 0.2321
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0284 0.4716 0.5581
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0582 1 1
Echinococcus granulosus jun protein 0.0196 0.3149 0.4472
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0274 0.0326
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.044 0.026
Echinococcus multilocularis 6 phosphofructokinase 0.0128 0.1947 0.2766
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Echinococcus granulosus lysosomal alpha glucosidase 0.0351 0.5906 0.8389
Onchocerca volvulus Alhambra homolog 0.0058 0.07 0.0696
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0041 0.0396 0.0563
Loa Loa (eye worm) hypothetical protein 0.0022 0.0065 0.0078
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0402 0.1234
Schistosoma mansoni alpha-glucosidase 0.0302 0.5038 0.6004
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0041 0.0396 0.0563
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1947 0.1886
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0396 0.12
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0041 0.0396 0.0387
Loa Loa (eye worm) hypothetical protein 0.0152 0.2361 0.2814
Echinococcus multilocularis muscleblind protein 1 0.0152 0.2361 0.3354
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.223 0.2793
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1053 0.4929
Schistosoma mansoni alpha glucosidase 0.0078 0.1053 0.1255
Schistosoma mansoni fad oxidoreductase 0.0041 0.0396 0.0472
Schistosoma mansoni ap endonuclease 0.0041 0.0402 0.048
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0274 0.0326
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.036 0.4605
Onchocerca volvulus 0.0203 0.3277 0.3987
Toxoplasma gondii hypothetical protein 0.0041 0.0396 0.1943
Echinococcus multilocularis cpg binding protein 0.0062 0.0764 0.1085
Onchocerca volvulus 0.0468 0.7983 1
Brugia malayi jmjC domain containing protein 0.0247 0.4063 0.509
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.2158 0.3066
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0285 0.0212
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0402 0.033
Loa Loa (eye worm) hypothetical protein 0.0152 0.2361 0.2814
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0396 0.0436
Echinococcus granulosus PHD finger protein rhinoceros 0.0058 0.07 0.0994
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0196 0.3149 0.4472
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0041 0.0396 0.0308
Loa Loa (eye worm) hypothetical protein 0.0468 0.7983 0.9515
Onchocerca volvulus 0.006 0.0737 0.0743
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.223 0.3168
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.1947 1
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0737 0.1046
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0274 0.3242
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0128 0.1947 0.2477
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0285 0.0212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.1995 0.2378
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0075 0.0083
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.036 0.0297
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0274 0.0326
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0247 0.4063 0.5772
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0028 0.004
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0396 0.12
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0285 0.3416
Schistosoma mansoni NAD dehydrogenase 0.0041 0.0396 0.0472
Schistosoma mansoni hypothetical protein 0.0159 0.2497 0.2976
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.2014 0.2566
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0472
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1947 0.1886
Schistosoma mansoni alpha-glucosidase 0.0302 0.5038 0.6004
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0041 0.0396 0.17
Schistosoma mansoni hypothetical protein 0.0172 0.2723 0.3245
Giardia lamblia PHD finger protein 15 0.0058 0.07 0.0639
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0387
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0396 0.0387
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0075 0.0352
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0422 0.0242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Loa Loa (eye worm) hypothetical protein 0.0468 0.7983 0.9515
Echinococcus granulosus dna polymerase kappa 0.0043 0.044 0.0625
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Echinococcus multilocularis lamin 0.0027 0.0155 0.0221
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0155 0.0195
Loa Loa (eye worm) hypothetical protein 0.0491 0.839 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1053 0.0885
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0402 0.034
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Echinococcus granulosus peregrin 0.0062 0.0763 0.1083
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0065 0.0303
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Echinococcus multilocularis musashi 0.0027 0.0155 0.0221
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0402 0.0504
Brugia malayi Glycosyl hydrolases family 31 protein 0.0078 0.1053 0.1319
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.2014 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0284 0.4716 0.5581
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0274 0.0389
Echinococcus granulosus 6 phosphofructokinase 0.0128 0.1947 0.2766
Echinococcus multilocularis lamin dm0 0.0027 0.0155 0.0221
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0737 0.0878
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.2014 0.2401
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0285 0.1387
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0041 0.0396 0.12
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0402 0.1731
Loa Loa (eye worm) PHD-finger family protein 0.0058 0.07 0.0834
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0422 0.2072
Echinococcus multilocularis peregrin 0.0062 0.0763 0.1083
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0274 0.0389
Brugia malayi PHD-finger family protein 0.0022 0.0065 0.0082
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0041 0.0396 0.201
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.1947 0.2321
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.1995 0.2378
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0285 0.6531
Trichomonas vaginalis sucrase-isomaltase, putative 0.0078 0.1053 0.0885
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0274 0.0326
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0422 0.5291
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0029 0.0185 0.0038
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.1947 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0075 0.034
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0041 0.0396 0.0497
Brugia malayi 6-phosphofructokinase 0.0128 0.1947 0.2439
Brugia malayi Pre-SET motif family protein 0.0411 0.6975 0.8737
Echinococcus granulosus lysine specific demethylase 5A 0.0131 0.1995 0.2834
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0185 0.0232
Chlamydia trachomatis D-amino acid dehydrogenase 0.0041 0.0396 1
Schistosoma mansoni jun-related protein 0.0159 0.2497 0.2976
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.1947 0.2321
Brugia malayi Bromodomain containing protein 0.0062 0.0763 0.0955
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0737 0.0878
Echinococcus granulosus neutral alpha glucosidase AB 0.0078 0.1053 0.1496
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0185 0.092
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Schistosoma mansoni hypothetical protein 0.0019 0.0006 0.0008
Mycobacterium ulcerans 6-phosphofructokinase 0.0128 0.1947 0.2252
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0274 0.1332
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.044 0.2236
Echinococcus granulosus lamin dm0 0.0027 0.0155 0.0221
Trichomonas vaginalis set domain proteins, putative 0.0468 0.7981 0.7943
Giardia lamblia Fructose-bisphosphate aldolase 0.0582 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0402 0.4991
Leishmania major alpha glucosidase II subunit, putative 0.0078 0.1053 0.507
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Echinococcus multilocularis geminin 0.0172 0.2723 0.3868
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0274 0.0389
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0078 0.1053 0.1255
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0274 0.0326
Schistosoma mansoni fad oxidoreductase 0.0041 0.0396 0.0472
Brugia malayi hypothetical protein 0.0468 0.7983 1
Schistosoma mansoni hypothetical protein 0.0058 0.07 0.0834
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.0472
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0326
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0402 0.033
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0128 0.1947 0.1886
Echinococcus multilocularis dnaJ subfamily B 0.0415 0.704 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0274 0.1332
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0041 0.0396 0.0308
Echinococcus granulosus geminin 0.0172 0.2723 0.3868
Loa Loa (eye worm) runx1 0.0059 0.0712 0.0849
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0714 0.0894
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.036 0.0287
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.0472
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0041 0.0396 0.201
Brugia malayi polk-prov protein 0.0033 0.0253 0.0317
Schistosoma mansoni intermediate filament proteins 0.0027 0.0155 0.0185
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0041 0.0396 0.0324
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.111 0.1577
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0737 0.1046
Echinococcus granulosus jumonji domain containing protein 0.0081 0.1104 0.1568
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0037 0.0333 0.0473
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0422 0.06
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Brugia malayi PHD-finger family protein 0.0058 0.07 0.0877
Echinococcus granulosus lamin 0.0027 0.0155 0.0221
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0274 0.0326
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0402 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0128 0.1947 0.2252
Brugia malayi CXXC zinc finger family protein 0.0058 0.0705 0.0882
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0155 0.0185
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Brugia malayi Muscleblind-like protein 0.0152 0.2361 0.2958
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0075 0.0013
Echinococcus multilocularis lysine specific demethylase 5A 0.0128 0.1936 0.275
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.223 0.2658
Echinococcus multilocularis dna polymerase kappa 0.0043 0.044 0.0625
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0155 0.0185
Schistosoma mansoni lamin 0.0027 0.0155 0.0185
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2014 0.2333
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0036 0.0302 0.036
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0196 0.3149 0.4472
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.1947 0.2321
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.111 0.1577
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0402 0.0572
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0028 0.004
Loa Loa (eye worm) hypothetical protein 0.0081 0.111 0.1323
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1053 0.4929
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0041 0.0396 0.0324
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.044 0.044
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0402 0.0222
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Loa Loa (eye worm) histone methyltransferase 0.002 0.0028 0.0034
Loa Loa (eye worm) hypothetical protein 0.0027 0.0147 0.0175
Trypanosoma brucei glucosidase, putative 0.0078 0.1053 0.5395
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0737 0.1046
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.2014 1
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.2014 0.2401
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0396 0.12
Leishmania major hypothetical protein, conserved 0.0041 0.0396 0.17
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0422 0.0242
Loa Loa (eye worm) acetyltransferase 0.0144 0.223 0.2658
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0285 0.1387
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.07 0.3454
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0384 0.048
Loa Loa (eye worm) hypothetical protein 0.004 0.0384 0.0457
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0737 0.3637
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1053 0.0885
Trichomonas vaginalis maltase-glucoamylase, putative 0.0078 0.1053 0.0885
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.045 0.7663 1
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0285 0.1387
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0041 0.0396 0.0563
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0402 0.0444
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0737 0.0878
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0396 0.0387
Brugia malayi bZIP transcription factor family protein 0.0196 0.3149 0.3944
Echinococcus granulosus dnaJ subfamily B 0.0415 0.704 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2014 0.2333
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.022
Onchocerca volvulus Putative fad oxidoreductase 0.0041 0.0396 0.0308
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0402 0.0394
Loa Loa (eye worm) hypothetical protein 0.0059 0.0714 0.0851
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0253 0.1271
Schistosoma mansoni cpg binding protein 0.0062 0.0764 0.091
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.2014 0.2861
Loa Loa (eye worm) hypothetical protein 0.0027 0.0155 0.0185
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.044 0.026
Loa Loa (eye worm) hypothetical protein 0.019 0.3053 0.3639
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0737 0.0878
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.0472
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0041 0.0396 0.0387
Loa Loa (eye worm) jmjC domain-containing protein 0.0131 0.1995 0.2378
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0326
Echinococcus granulosus cpg binding protein 0.0062 0.0764 0.1085
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0274 0.0389
Brugia malayi phosphofructokinase 0.0128 0.1947 0.2439
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0402 0.0572
Leishmania major ATP-dependent phosphofructokinase 0.0128 0.1947 0.9654
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0402 0.0222
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.044 0.044
Echinococcus multilocularis lysosomal alpha glucosidase 0.0351 0.5906 0.8389
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0285 0.3228
Echinococcus multilocularis PHD finger protein rhinoceros 0.0058 0.07 0.0994
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.1903 0.2268
Schistosoma mansoni hypothetical protein 0.0172 0.2723 0.3245
Echinococcus multilocularis jumonji domain containing protein 0.0081 0.1104 0.1568
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.2014 0.2861
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0274 0.0326
Brugia malayi cDNA sequence BC016226 0.0041 0.0396 0.0497
Plasmodium falciparum phd finger protein, putative 0.0058 0.07 1
Brugia malayi hypothetical protein 0.0154 0.2401 0.3008
Brugia malayi RE18450p 0.0041 0.0396 0.0497
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2014 0.2333
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1947 0.1886
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.0472
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1053 0.0986
Brugia malayi jmjC domain containing protein 0.0034 0.0274 0.0343
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0396 0.201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0714 0.0894
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0274 0.0505
Plasmodium vivax hypothetical protein, conserved 0.0058 0.07 0.945
Brugia malayi F/Y-rich N-terminus family protein 0.0039 0.0361 0.0452
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0285 0.3416
Onchocerca volvulus 0.0154 0.2401 0.2869
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0058 0.07 0.0834
Onchocerca volvulus 0.0058 0.0705 0.0701
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Toxoplasma gondii exonuclease III APE 0.0041 0.0402 0.1973
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0285 0.0102
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0185 0.0615
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.044 0.2236
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.1732 0.8591
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0075 0.0079
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0274 0.0389
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0041 0.0396 0.1943
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0274 0.0389
Echinococcus granulosus muscleblind protein 0.0152 0.2361 0.3354
Schistosoma mansoni d-amino acid oxidase 0.0491 0.839 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.07 0.0834
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.044 0.2236
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0285 0.3228
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0285 0.0102
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0491 0.839 1
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1947 0.1795
Brugia malayi AF-10 protein 0.0019 0.0006 0.0008
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.6975 0.8313
Loa Loa (eye worm) hypothetical protein 0.0115 0.1708 0.2036
Brugia malayi Glycosyl hydrolases family 31 protein 0.0351 0.5906 0.7398
Schistosoma mansoni jumonji domain containing protein 0.0208 0.337 0.4016
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0705 0.084
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1053 0.0986
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0491 0.839 1
Schistosoma mansoni cpg binding protein 0.0058 0.0705 0.084
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0285 0.6531
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.044 0.1449
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0253 0.1271
Brugia malayi intermediate filament protein 0.0027 0.0155 0.0195
Plasmodium vivax JmjC domain containing protein 0.0034 0.0274 0.3064
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0402 0.2041
Onchocerca volvulus 0.0081 0.111 0.1219
Echinococcus multilocularis Protein lozenge 0.0059 0.0712 0.1012
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0316 0.1598
Schistosoma mansoni cpg binding protein 0.0062 0.0764 0.091
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1053 0.0885
Loa Loa (eye worm) jmjC domain-containing protein 0.012 0.1797 0.2142
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0247 0.4063 0.5772
Leishmania major hypothetical protein, conserved 0.0041 0.0396 0.17
Brugia malayi Pre-SET motif family protein 0.006 0.0737 0.0923
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0078 0.1053 0.1496
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0402 0.1234
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0676 0.096
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.111 0.1323

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.82 uM Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization ChEMBL. 18378452
IC50 (functional) = 0.82 uM Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization ChEMBL. 18378452
IC50 (functional) = 5.5 uM Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization ChEMBL. 18378452
IC50 (functional) = 5.5 uM Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization ChEMBL. 18378452

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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