Detailed information for compound 999819

Basic information

Technical information
  • TDR Targets ID: 999819
  • Name: (3S,6R,9S,12R,15S,18R)-3-butan-2-yl-9,15-dibu tyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl )-1,7,13-trioxa-4,10,16-triazacyclooctadecane -2,5,8,11,14,17-hexone
  • MW: 681.9 | Formula: C36H63N3O9
  • H donors: 0 H acceptors: 6 LogP: 7.82 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CCCC)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(CC)C)C)C(C)C
  • InChi: 1S/C36H63N3O9/c1-14-17-19-25-34(43)46-28(21(4)5)31(40)37(11)26(20-18-15-2)35(44)47-30(23(8)9)33(42)39(13)27(24(10)16-3)36(45)48-29(22(6)7)32(41)38(25)12/h21-30H,14-20H2,1-13H3/t24?,25-,26-,27-,28+,29+,30+/m0/s1
  • InChiKey: GVDAJJRPXXFXKC-PTXBXGOCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S,6R,9S,12R,15S,18R)-3,9-dibutyl-6,12,18-triisopropyl-4,10,16-trimethyl-15-sec-butyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
  • (3S,6R,9S,12R,15S,18R)-3,9-dibutyl-6,12,18-triisopropyl-4,10,16-trimethyl-15-sec-butyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-triquinone

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 RNA, U transporter 1 0.0069 0.0082 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0076
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Loa Loa (eye worm) hypothetical protein 0.0285 0.043 0.1267
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0021 0.0945
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0004 0.0936
Echinococcus multilocularis snurportin 1 0.0259 0.0388 0.0388
Brugia malayi hypothetical protein 0.0153 0.0217 0.064
Brugia malayi Bromodomain containing protein 0.0126 0.0173 0.051
Onchocerca volvulus 0.0088 0.0113 0.0767
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0052 0.2406
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0285 0.043 0.043
Brugia malayi Pre-SET motif family protein 0.0683 0.1069 0.3149
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0042 0.1913
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0138 0.0193 0.1436
Onchocerca volvulus 0.0037 0.0031 0.0091
Brugia malayi Importin beta-1 subunit 0.0024 0.001 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0154 0.0219 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Brugia malayi PHD-finger family protein 0.0082 0.0103 0.0302
Loa Loa (eye worm) hypothetical protein 0.0418 0.0642 0.1893
Echinococcus multilocularis Smad4 0.0024 0.0011 0.0011
Schistosoma mansoni Smad4 0.0024 0.0011 0.0011
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0037 0.0031 0.0031
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0031 0.0257
Schistosoma mansoni hypothetical protein 0.0132 0.0184 0.0184
Brugia malayi Heterochromatin protein 1 0.0229 0.0339 0.0998
Onchocerca volvulus 0.01 0.0133 0.0935
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0004 0.0004
Schistosoma mansoni chromobox protein 0.0229 0.0339 0.0339
Schistosoma mansoni hypothetical protein 0.0068 0.008 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0018 0.0151
Brugia malayi Pre-SET motif family protein 0.0098 0.0129 0.0379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0076
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Echinococcus multilocularis tar DNA binding protein 0.0135 0.0187 0.0187
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0187 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0031 0.0256
Brugia malayi AMP-binding enzyme family protein 0.005 0.0052 0.0154
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0004 0.0179
Entamoeba histolytica hypothetical protein 0.0037 0.0031 0.6007
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0031 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0013 0.0109
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.0257
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0118 0.0161 0.0161
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0056 0.0061 0.0061
Loa Loa (eye worm) TAR-binding protein 0.0135 0.0187 0.0552
Brugia malayi Smad1 0.0024 0.0011 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0027 0.0223
Brugia malayi CHD4 protein 0.0044 0.0041 0.0122
Giardia lamblia PHD finger protein 15 0.0031 0.0021 0.4941
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0132 0.0184 0.0541
Entamoeba histolytica hypothetical protein 0.002 0.0003 0.056
Loa Loa (eye worm) MH2 domain-containing protein 0.0359 0.0548 0.1615
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0017 0.0138
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0259 0.0388 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0042 0.1913
Brugia malayi intermediate filament protein 0.0088 0.0113 0.0332
Echinococcus granulosus fetal alzheimer antigen falz 0.0074 0.009 0.009
Leishmania major hypothetical protein, conserved 0.005 0.0052 0.2391
Echinococcus multilocularis lamin dm0 0.0088 0.0113 0.0113
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.004 0.004
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0021 0.0021
Echinococcus granulosus chromobox protein 1 0.0229 0.0339 0.0339
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0041 0.0041
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0128 0.0177 0.1306
Brugia malayi glutaminase DH11.1 0.023 0.0341 0.1006
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0069 0.0082 0.0082
Trypanosoma cruzi PAB1-binding protein , putative 0.0153 0.0217 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0 0.0021
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0004 0.0179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0052 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0028 0.5084
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0132 0.0184 0.0184
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0132 0.0184 0.0184
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0187 0.0187
Schistosoma mansoni serine/threonine protein kinase 0.213 0.3393 0.3393
Loa Loa (eye worm) hypothetical protein 0.0132 0.0184 0.0541
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0132 0.0184 0.0184
Echinococcus granulosus Chromo domain 0.0037 0.0031 0.0031
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0098 0.0129 0.0129
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0098 0.0129 0.5924
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0041 0.0041
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Schistosoma mansoni bromodomain containing protein 0.0208 0.0305 0.0305
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0135 0.0189 0.0189
Echinococcus granulosus tumor protein p63 0.2446 0.3902 0.3902
Trichomonas vaginalis chromobox protein, putative 0.0229 0.0339 0.2775
Brugia malayi chromobox protein homolog 3 0.0128 0.0177 0.0522
Plasmodium falciparum ataxin-2 like protein, putative 0.0153 0.0217 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0028 0.5084
Brugia malayi cytoplasmic intermediate filament protein 0.0047 0.0047 0.0138
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0004 0.0011
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0037 0.0031 0.1445
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.001 0.0475
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0069 0.0082 0.0082
Brugia malayi map kinase activated protein kinase protein 2 0.213 0.3393 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0021 0.0945
Plasmodium vivax importin-beta 2, putative 0.0024 0.001 0.0475
Schistosoma mansoni smad 0.0024 0.0011 0.0011
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0004 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0076
Trypanosoma brucei ISWI complex protein 0.005 0.0052 0.2391
Loa Loa (eye worm) hypothetical protein 0.01 0.0133 0.0391
Echinococcus multilocularis chromobox protein 1 0.0229 0.0339 0.0339
Brugia malayi MH2 domain containing protein 0.0359 0.0548 0.1615
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0177 0.1452
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Echinococcus granulosus chromobox protein 1 0.0229 0.0339 0.0339
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0004 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0011 0.0011
Plasmodium vivax SET domain protein, putative 0.0098 0.0129 0.5924
Schistosoma mansoni methyl-cpg binding protein mbd 0.0056 0.0061 0.0061
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0052 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0074 0.009 0.009
Brugia malayi AMP-binding enzyme family protein 0.005 0.0052 0.0154
Echinococcus multilocularis G protein coupled receptor 139 0.0171 0.0246 0.0246
Schistosoma mansoni intermediate filament proteins 0.0088 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0154
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0013 0.0109
Echinococcus multilocularis neuropeptide receptor 0.0171 0.0246 0.0246
Echinococcus granulosus importin subunit beta 1 0.0024 0.001 0.001
Echinococcus granulosus Chromobox protein 3 0.0037 0.0031 0.0031
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0032 0.1463
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0052 0.1433
Echinococcus multilocularis chromobox protein 1 0.0229 0.0339 0.0339
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0042 0.1913
Trichomonas vaginalis set domain proteins, putative 0.0777 0.122 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0032 0.0094
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Schistosoma mansoni ap endonuclease 0.002 0.0004 0.0004
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0052 0.2406
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0094 0.0123 0.0123
Toxoplasma gondii exonuclease III APE 0.002 0.0004 0.0179
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0037 0.0031 0.0031
Onchocerca volvulus 0.0777 0.122 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0052 0.1433
Brugia malayi Protein cec-1. 0.0037 0.0031 0.0093
Echinococcus granulosus snurportin 1 0.0259 0.0388 0.0388
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0031 0.1445
Echinococcus multilocularis microtubule associated protein 2 0.6241 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0052 0.1433
Schistosoma mansoni chromobox protein 0.0037 0.0031 0.0031
Schistosoma mansoni zinc finger protein 0.0064 0.0074 0.0074
Schistosoma mansoni smad1 5 8 and 0.0024 0.0011 0.0011
Plasmodium falciparum ataxin-2 like protein, putative 0.0153 0.0217 1
Echinococcus multilocularis lamin 0.0088 0.0113 0.0113
Echinococcus multilocularis zinc finger protein 0.0064 0.0074 0.0074
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0042 0.7951
Onchocerca volvulus 0.0088 0.0113 0.0767
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0088 0.0113 0.0332
Schistosoma mansoni cellular tumor antigen P53 0.0358 0.0547 0.0547
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.6007
Plasmodium falciparum phd finger protein, putative 0.0031 0.0021 0.0945
Echinococcus multilocularis importin subunit beta 1 0.0024 0.001 0.001
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0037 0.0031 0.0031
Brugia malayi jmjC domain containing protein 0.01 0.0133 0.0391
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0003 0.001
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0032 0.0094
Echinococcus granulosus chromobox protein 2 0.0037 0.0031 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0004 0.0011
Schistosoma mansoni lamin 0.0088 0.0113 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0076
Plasmodium falciparum importin beta, putative 0.0024 0.001 0.0475
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0109
Mycobacterium ulcerans glutaminase 0.023 0.0341 1
Schistosoma mansoni lamin 0.0088 0.0113 0.0113
Plasmodium vivax heterochromatin protein 1, putative 0.0037 0.0031 0.1445
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0037 0.0031 0.0031
Schistosoma mansoni smad1 5 8 and 0.0024 0.0011 0.0011
Brugia malayi M-phase phosphoprotein, mpp8 0.0037 0.0031 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Loa Loa (eye worm) hypothetical protein 0.0154 0.0219 0.0644
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0052 0.1433
Loa Loa (eye worm) hypothetical protein 0.0088 0.0113 0.0332
Echinococcus granulosus smad 0.0024 0.0011 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0154 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0154
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0052 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0013 0.0109
Schistosoma mansoni zinc finger protein 0.005 0.0052 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0042 0.034
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0052 0.1433
Loa Loa (eye worm) CHromoDomain protein family member 0.0044 0.0041 0.0122
Loa Loa (eye worm) helicase 0.0037 0.0031 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Echinococcus multilocularis peregrin 0.0038 0.0033 0.0033
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0004 0.0032
Schistosoma mansoni microtubule-associated protein tau 0.6241 1 1
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0037 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0232 0.0344 0.1014
Brugia malayi jmjC domain containing protein 0.0043 0.0041 0.0121
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0011 0.0031
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.0032 0.1463
Brugia malayi MH1 domain containing protein 0.0024 0.0011 0.0031
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0042 0.0039 0.0039
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0042 0.0042
Echinococcus granulosus Smad4 0.0024 0.0011 0.0011
Leishmania major hypothetical protein, conserved 0.0153 0.0217 1
Echinococcus granulosus tar DNA binding protein 0.0135 0.0187 0.0187
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.0133 0.0133
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0004 0.0179
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0024 0.1084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Trichomonas vaginalis importin beta-1, putative 0.002 0.0003 0.0024
Loa Loa (eye worm) Smad1 0.0024 0.0011 0.0031
Trichomonas vaginalis chromobox protein, putative 0.0229 0.0339 0.2775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0042 0.034
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0042 0.1913
Echinococcus granulosus lamin dm0 0.0088 0.0113 0.0113
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0418 0.0642 0.1893
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.0257
Trypanosoma cruzi ISWI complex protein 0.005 0.0052 0.2391
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0052 0.1433
Plasmodium falciparum heterochromatin protein 1 0.0037 0.0031 0.1445
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0042 0.1913
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0028 0.5084
Loa Loa (eye worm) transcription factor SMAD2 0.0359 0.0548 0.1615
Giardia lamblia GTOR 0.0044 0.0042 1
Brugia malayi Valyl-tRNA synthetase 0.0037 0.0031 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0027 0.0223
Trypanosoma cruzi PAB1-binding protein , putative 0.0153 0.0217 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0196 0.0286 0.0286
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0044 0.0041 0.0041
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.0133 0.0133
Loa Loa (eye worm) RNA binding protein 0.0135 0.0187 0.0552
Entamoeba histolytica hypothetical protein 0.0037 0.0031 0.6007
Brugia malayi MH2 domain containing protein 0.0024 0.0011 0.0031
Loa Loa (eye worm) PHD-finger family protein 0.0068 0.008 0.0236
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.001 0.0475
Schistosoma mansoni importin beta-1 0.0024 0.001 0.001
Echinococcus multilocularis musashi 0.0088 0.0113 0.0113
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0196 0.0286 0.0286
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0109
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0004 0.0179
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0052 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0074 0.009 0.009
Loa Loa (eye worm) glutaminase 2 0.023 0.0341 0.1006
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0031 0.1445
Schistosoma mansoni smad1 5 8 and 0.0024 0.0011 0.0011
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0004 0.0179
Loa Loa (eye worm) glutaminase 0.023 0.0341 0.1006
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0117 0.0959
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.6007
Echinococcus granulosus methyl CpG binding domain protein 2 0.0056 0.0061 0.0061
Schistosoma mansoni neuropeptide receptor 0.0171 0.0246 0.0246
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0187 0.0187
Schistosoma mansoni ap endonuclease 0.002 0.0004 0.0004
Echinococcus multilocularis Chromo domain 0.0037 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0053 0.0056 0.0164
Loa Loa (eye worm) latrophilin receptor protein 2 0.0132 0.0184 0.0541
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0042 0.0122
Loa Loa (eye worm) hypothetical protein 0.0086 0.011 0.0324
Brugia malayi latrophilin 2 splice variant baaae 0.0285 0.043 0.1267
Echinococcus multilocularis Chromobox protein 3 0.0037 0.0031 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0187 0.0187
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0037 0.0031 0.1445
Entamoeba histolytica hypothetical protein 0.0037 0.0031 0.6007
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0021 0.0945
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0073 0.0215
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0047 0.0047 0.0138
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0044 0.0041 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0038 0.0032 0.0094
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0037 0.0031 0.1445
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0027 0.1254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0013 0.0105
Leishmania major importin beta-1 subunit, putative 0.002 0.0003 0.0135
Brugia malayi Intermediate filament tail domain containing protein 0.0088 0.0113 0.0332
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0032 0.5767
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0031 0.0257
Toxoplasma gondii LsmAD domain-containing protein 0.0153 0.0217 1
Trypanosoma brucei PAB1-binding protein , putative 0.0153 0.0217 1
Echinococcus granulosus intermediate filament protein 0.0088 0.0113 0.0113
Echinococcus granulosus jumonji domain containing protein 0.0043 0.004 0.004
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0041 0.0121
Brugia malayi TAR-binding protein 0.0135 0.0187 0.0552
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0683 0.1069 0.3149
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Echinococcus granulosus lamin 0.0088 0.0113 0.0113
Mycobacterium ulcerans hypothetical protein 0.005 0.0052 0.1433
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0042 0.7951
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0052 1
Trichomonas vaginalis Heterochromatin protein, putative 0.0037 0.0031 0.0257
Trichomonas vaginalis glutaminase, putative 0.023 0.0341 0.2798
Brugia malayi PHD-finger family protein 0.0031 0.0021 0.0061
Brugia malayi Bromodomain containing protein 0.0246 0.0367 0.1081
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.0032 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Brugia malayi MH1 domain containing protein 0.0024 0.0011 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0027 0.0223
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0037 0.0031 0.0093
Loa Loa (eye worm) hypothetical protein 0.014 0.0196 0.0578
Loa Loa (eye worm) hypothetical protein 0.0024 0.001 0.003
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0005 0.0207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0075
Trichomonas vaginalis chromobox protein, putative 0.0138 0.0193 0.158
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0027 0.1254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0075
Onchocerca volvulus 0.0135 0.0189 0.1403
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0011 0.0011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0418 0.0642 0.1893
Loa Loa (eye worm) hypothetical protein 0.0038 0.0032 0.0094
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0011 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0027 0.0223
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0011 0.0031
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.213 0.3393 0.3393
Schistosoma mansoni hypothetical protein 0.0069 0.0082 0.0082
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0021 0.0061
Onchocerca volvulus 0.0037 0.0031 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Loa Loa (eye worm) hypothetical protein 0.0042 0.0039 0.0116
Loa Loa (eye worm) hypothetical protein 0.0153 0.0217 0.064
Loa Loa (eye worm) hypothetical protein 0.0126 0.0174 0.0512
Loa Loa (eye worm) hypothetical protein 0.0038 0.0032 0.0094
Loa Loa (eye worm) hypothetical protein 0.0128 0.0177 0.0522
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0052 0.5
Brugia malayi hypothetical protein 0.0037 0.0031 0.0093
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.0187 0.0552
Brugia malayi RNA binding protein 0.0135 0.0187 0.0552
Schistosoma mansoni hypothetical protein 0.0132 0.0184 0.0184
Trichomonas vaginalis hypothetical protein 0.0037 0.0031 0.0257
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0118 0.0161 0.0161
Echinococcus granulosus histone lysine methyltransferase setb 0.0154 0.0219 0.0219
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0003 0.0024
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.0257
Brugia malayi Latrophilin receptor protein 2 0.0132 0.0184 0.0541
Brugia malayi Associated with TFs and helicases family protein 0.0037 0.0031 0.0093
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0004 0.0179
Schistosoma mansoni chromobox protein 0.0229 0.0339 0.0339
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0418 0.0642 0.1893
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0042 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0024 0.0193
Echinococcus granulosus MAP kinase activated protein kinase 2 0.213 0.3393 0.3393
Echinococcus multilocularis smad 0.0024 0.0011 0.0011
Echinococcus granulosus zinc finger protein 0.0064 0.0074 0.0074
Echinococcus granulosus neuropeptide receptor 0.0171 0.0246 0.0246
Schistosoma mansoni hypothetical protein 0.0132 0.0184 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0117 0.0959
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0004 0.5
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.6007
Brugia malayi hypothetical protein 0.0099 0.013 0.0383
Echinococcus granulosus peregrin 0.0038 0.0033 0.0033
Trypanosoma cruzi ISWI complex protein 0.005 0.0052 0.2391
Loa Loa (eye worm) intermediate filament protein 0.0088 0.0113 0.0332
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0042 0.1913
Brugia malayi Bromodomain containing protein 0.0038 0.0033 0.0097
Echinococcus multilocularis tumor protein p63 0.2446 0.3902 0.3902
Loa Loa (eye worm) hypothetical protein 0.0358 0.0547 0.1611
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0031 0.0257
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.0257
Loa Loa (eye worm) hypothetical protein 0.0037 0.0031 0.0093
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0154 0.0219 0.0219
Echinococcus granulosus GPCR family 2 0.0132 0.0184 0.0184
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0042 0.0042
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0027 0.1254
Brugia malayi AMP-binding enzyme family protein 0.005 0.0052 0.0154
Echinococcus multilocularis chromobox protein 2 0.0037 0.0031 0.0031
Onchocerca volvulus 0.005 0.0052 0.0264
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0037 0.0031 0.0257
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0037 0.0031 0.0257
Brugia malayi MH2 domain containing protein 0.0024 0.0011 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0027 0.0223
Schistosoma mansoni jumonji domain containing protein 0.008 0.0099 0.0099
Trichomonas vaginalis chromobox protein, putative 0.0138 0.0193 0.158
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0044 0.0041 0.0041
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.005 0.0052 0.0052
Plasmodium vivax ataxin-2 like protein, putative 0.0153 0.0217 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0028 0.5084
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0032 0.0827
Schistosoma mansoni glutaminase 0.023 0.0341 0.0341
Schistosoma mansoni methyl-cpg binding protein mbd 0.0056 0.0061 0.0061
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0037 0.0031 0.0031
Schistosoma mansoni chromobox protein 0.0037 0.0031 0.0031
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.0187 0.0552
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0011 0.0011
Onchocerca volvulus 0.0358 0.0547 0.4385
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0177 0.1452
Brugia malayi SET domain containing protein 0.0041 0.0037 0.011
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0004 0.0744
Schistosoma mansoni hypothetical protein 0.0259 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0134 0.0186 0.0548
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0042 0.0042
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0037 0.0031 0.1445
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.213 0.3393 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0021 0.0061
Loa Loa (eye worm) bromodomain containing protein 0.0058 0.0064 0.019
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0052 0.2406
Echinococcus multilocularis GPCR, family 2 0.0132 0.0184 0.0184
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0037 0.0031 0.1445
Schistosoma mansoni hypothetical protein 0.0031 0.0021 0.0021
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0011 0.0011
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0003 0.0135
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0052 0.1433
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0187 0.0187
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0042 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0132 0.0184 0.0184
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.001 0.0475
Loa Loa (eye worm) heterochromatin protein 1 0.0229 0.0339 0.0998
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0031 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0009 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0042 0.034
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0132 0.0184 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0013 0.0105
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0154
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0003 0.0024

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 at 37 degC after 18 to 24 hrs ChEMBL. 16562855
IC50 (functional) = 3.5 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 90113 at 30 degC after 68 to 72 hrs ChEMBL. 16562855
MIC (functional) = 3.13 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 at 37 degC after 18 to 24 hrs ChEMBL. 16562855
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 90113 at 30 degC after 68 to 72 hrs ChEMBL. 16562855

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Cryptococcus neoformans ChEMBL23 16562855
Candida albicans ChEMBL23 16562855

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

No literature references available for this target.

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