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

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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