Detailed information for compound 544888

Basic information

Technical information
  • TDR Targets ID: 544888
  • Name: sodium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dim ethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthre ne-1-carboxylate
  • MW: 324.433 | Formula: C20H29NaO2
  • H donors: 0 H acceptors: 2 LogP: 5.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)[O-])C.[Na+]
  • InChi: 1S/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1
  • InChiKey: ITCAUAYQCALGGV-XTICBAGASA-M  


Substructure search Similarity search

Network

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Synonyms

  • sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
  • 14351-66-7
  • Sodium abietate, technical
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-
  • Abietic acids, sodium salts
  • EINECS 238-313-1

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
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0044 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0468 0.2015 0.2577
Brugia malayi F/Y-rich N-terminus family protein 0.0036 0.0044 0.0054
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Echinococcus granulosus chromobox protein 1 0.0367 0.1555 0.1553
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.006 0.0155 0.1525
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0107 0.4744
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0039 0.0037
Loa Loa (eye worm) hypothetical protein 0.0206 0.0819 0.1046
Loa Loa (eye worm) CHromoDomain protein family member 0.0076 0.0228 0.0289
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.025 0.1019 1
Brugia malayi MH1 domain containing protein 0.0035 0.0039 0.0047
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0128 0.0161
Brugia malayi TAR-binding protein 0.0468 0.2015 0.2577
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1741 0.7812 1
Trichomonas vaginalis chromobox protein, putative 0.0367 0.1555 0.1737
Brugia malayi intermediate filament protein 0.0058 0.0144 0.0182
Loa Loa (eye worm) MH2 domain-containing protein 0.0507 0.2189 0.28
Trichomonas vaginalis chromobox protein, putative 0.006 0.0155 0.0165
Echinococcus granulosus lamin dm0 0.0058 0.0144 0.0143
Trichomonas vaginalis hypothetical protein 0.006 0.0155 0.0165
Plasmodium vivax heterochromatin protein 1, putative 0.006 0.0155 0.1525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.0903 0.1153
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.006 0.0155 0.6887
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0041 0.0069 0.0598
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0392 0.1668 0.1644
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Entamoeba histolytica hypothetical protein 0.006 0.0155 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0117 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0021 0.0014
Brugia malayi RNA binding protein 0.0468 0.2015 0.2577
Loa Loa (eye worm) hypothetical protein 0.0058 0.0144 0.0182
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0143 0.0531 0.0529
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0099 0.007
Brugia malayi Cytochrome P450 family protein 0.0054 0.0128 0.0161
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.025 0.1019 0.0993
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.004 0.0035
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0008 0.0007
Brugia malayi Probable ClpP-like protease 0.0076 0.0226 0.0286
Brugia malayi Bromodomain containing protein 0.032 0.1339 0.1712
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0117 0.0147
Brugia malayi SET domain containing protein 0.0069 0.0197 0.025
Loa Loa (eye worm) phosphatidylinositol 3 0.0052 0.0117 0.0147
Echinococcus granulosus chromobox protein 1 0.0367 0.1555 0.1553
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0043 0.0052
Echinococcus granulosus peregrin 0.0052 0.0119 0.0117
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0029 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Schistosoma mansoni chromobox protein 0.006 0.0155 0.0127
Echinococcus multilocularis chromobox protein 1 0.0367 0.1555 0.1553
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0029 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Echinococcus multilocularis musashi 0.0058 0.0144 0.0143
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0226 0.2214
Brugia malayi hypothetical protein 0.006 0.0155 0.0196
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0029 0.0027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0118 0.0148
Loa Loa (eye worm) hypothetical protein 0.0057 0.014 0.0176
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0222 0.0891 0.0971
Brugia malayi Associated with TFs and helicases family protein 0.006 0.0155 0.0196
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0107 1
Trichomonas vaginalis chromobox protein, putative 0.006 0.0155 0.0165
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0052 0.0117 0.1744
Schistosoma mansoni Smad4 0.0035 0.0039 0.001
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0188 0.074 0.0713
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0029 0.0034
Trypanosoma brucei ISWI complex protein 0.0128 0.0464 1
Echinococcus multilocularis Smad4 0.0035 0.0039 0.0037
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0499 0.2154 0.2153
Echinococcus multilocularis lamin 0.0058 0.0144 0.0143
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.006 0.0155 0.0154
Schistosoma mansoni tar DNA-binding protein 0.0468 0.2015 0.1992
Entamoeba histolytica hypothetical protein 0.006 0.0155 1
Echinococcus granulosus Smad4 0.0035 0.0039 0.0037
Loa Loa (eye worm) hypothetical protein 0.0076 0.0226 0.0286
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0039 0.0047
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0039 0.0047
Brugia malayi Heterochromatin protein 1 0.0367 0.1555 0.1988
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0188 0.074 0.0738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0022 0.0015
Loa Loa (eye worm) hypothetical protein 0.0052 0.0118 0.0148
Schistosoma mansoni tar DNA-binding protein 0.0468 0.2015 0.1992
Loa Loa (eye worm) hypothetical protein 0.0055 0.0134 0.0169
Brugia malayi Smad1 0.0035 0.0039 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0069 0.0068
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0044 0.0435
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0118 0.0148
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0321 0.1342 0.1716
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0206 0.0819 0.0891
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.006 0.0155 0.0154
Echinococcus granulosus lamin 0.0058 0.0144 0.0143
Brugia malayi Valyl-tRNA synthetase 0.006 0.0155 0.0196
Brugia malayi MH2 domain containing protein 0.0035 0.0039 0.0047
Loa Loa (eye worm) hypothetical protein 0.0161 0.0617 0.0787
Brugia malayi Bromodomain containing protein 0.0052 0.0119 0.0149
Loa Loa (eye worm) RNA binding protein 0.0468 0.2015 0.2577
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0144 0.0182
Schistosoma mansoni hypothetical protein 0.0128 0.0464 0.0436
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0241 0.0977 0.0976
Schistosoma mansoni microtubule-associated protein tau 0.2222 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0052 0.0117 0.1744
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Onchocerca volvulus 0.0161 0.0617 0.0662
Schistosoma mansoni hypothetical protein 0.0035 0.0043 0.0014
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.025 0.1019 0.1017
Plasmodium vivax SET domain protein, putative 0.025 0.1019 1
Onchocerca volvulus 0.006 0.0155 0.0143
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0022 0.0015
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0052 0.0117 0.6591
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.0133 0.0104
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0044 0.0043
Trypanosoma cruzi ISWI complex protein 0.0128 0.0464 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0226 1
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0087 0.0085
Schistosoma mansoni intermediate filament proteins 0.0058 0.0144 0.0116
Plasmodium falciparum phd finger protein, putative 0.0032 0.0029 0.1277
Brugia malayi jmjC domain containing protein 0.0106 0.0364 0.0463
Loa Loa (eye worm) hypothetical protein 0.0591 0.2574 0.3293
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Echinococcus multilocularis chromobox protein 2 0.006 0.0155 0.0154
Toxoplasma gondii histone lysine methyltransferase SET1 0.0029 0.0013 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Loa Loa (eye worm) hypothetical protein 0.0036 0.0044 0.0054
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 1
Brugia malayi M-phase phosphoprotein, mpp8 0.006 0.0155 0.0196
Brugia malayi MH1 domain containing protein 0.0035 0.0039 0.0047
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0039 0.0037
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0107 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0052 0.0117 0.0089
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0076 0.0228 0.0226
Echinococcus multilocularis zinc finger protein 0.0164 0.0627 0.0625
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0052 0.0117 0.0116
Loa Loa (eye worm) hypothetical protein 0.0341 0.1432 0.1831
Trichomonas vaginalis conserved hypothetical protein 0.0206 0.0819 0.0911
Brugia malayi MH2 domain containing protein 0.0507 0.2189 0.28
Echinococcus multilocularis tumor protein p63 0.0326 0.1368 0.1367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Schistosoma mansoni inositol monophosphatase 0.0036 0.0044 0.0016
Onchocerca volvulus 0.006 0.0155 0.0143
Schistosoma mansoni smad 0.0035 0.0039 0.001
Echinococcus granulosus chromobox protein 2 0.006 0.0155 0.0154
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Loa Loa (eye worm) helicase 0.006 0.0155 0.0196
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.006 0.0155 0.0127
Brugia malayi chromobox protein homolog 3 0.0206 0.0819 0.1046
Plasmodium falciparum heterochromatin protein 1 0.006 0.0155 0.6887
Plasmodium vivax SET domain containing protein 0.0029 0.0013 0.0132
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 0.0165
Echinococcus granulosus Chromo domain 0.006 0.0155 0.0154
Onchocerca volvulus 0.1982 0.8907 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.0364 0.0362
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.0002
Loa Loa (eye worm) bromodomain containing protein 0.0148 0.0554 0.0706
Loa Loa (eye worm) inositol-1 0.0036 0.0044 0.0054
Schistosoma mansoni chromobox protein 0.0367 0.1555 0.153
Entamoeba histolytica hypothetical protein 0.006 0.0155 1
Trichomonas vaginalis chromobox protein, putative 0.0367 0.1555 0.1737
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0226 0.0197
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0052 0.0117 0.1744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0117 0.0122
Loa Loa (eye worm) hypothetical protein 0.0392 0.1668 0.2133
Brugia malayi MH2 domain containing protein 0.0035 0.0039 0.0047
Plasmodium vivax hypothetical protein, conserved 0.006 0.0155 0.1525
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0044 0.004
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 0.0165
Trichomonas vaginalis chromobox protein, putative 0.0222 0.0891 0.0991
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.0546 0.0603
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0044 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.0546 0.0603
Echinococcus multilocularis smad 0.0035 0.0039 0.0037
Brugia malayi CHD4 protein 0.0076 0.0228 0.0289
Trypanosoma cruzi ISWI complex protein 0.0128 0.0464 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0076 0.0228 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0021 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.006 0.0155 0.1525
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.006 0.0058
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0144 0.0182
Schistosoma mansoni zinc finger protein 0.0164 0.0627 0.06
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0392 0.1668 0.1667
Loa Loa (eye worm) transcription factor SMAD2 0.0507 0.2189 0.28
Schistosoma mansoni tar DNA-binding protein 0.0468 0.2015 0.1992
Echinococcus multilocularis Chromo domain 0.006 0.0155 0.0154
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0052 0.0117 0.1744
Loa Loa (eye worm) PHD-finger family protein 0.0172 0.0667 0.0851
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0052 0.0117 0.1744
Brugia malayi Pre-SET motif family protein 0.1741 0.7812 1
Brugia malayi Type III restriction enzyme, res subunit family protein 0.006 0.0155 0.0196
Onchocerca volvulus 0.0058 0.0144 0.013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.03 0.1249 0.1248
Schistosoma mansoni lamin 0.0058 0.0144 0.0116
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0499 0.2154 0.2153
Brugia malayi PHD-finger family protein 0.0032 0.0029 0.0034
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Loa Loa (eye worm) hypothetical protein 0.0032 0.0029 0.0034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Schistosoma mansoni smad1 5 8 and 0.0035 0.0039 0.001
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0107 0.0105
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0027 0.1208
Echinococcus multilocularis Chromobox protein 3 0.006 0.0155 0.0154
Schistosoma mansoni smad1 5 8 and 0.0035 0.0039 0.001
Trichomonas vaginalis Heterochromatin protein, putative 0.006 0.0155 0.0165
Schistosoma mansoni tar DNA-binding protein 0.0468 0.2015 0.1992
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0029 0.0283
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0107 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0117 0.0122
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0022 0.0026
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 1
Echinococcus multilocularis microtubule associated protein 2 0.2222 1 1
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0087 0.0085
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0144 0.0182
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0039 0.0037
Schistosoma mansoni lamin 0.0058 0.0144 0.0116
Loa Loa (eye worm) TAR-binding protein 0.0468 0.2015 0.2577
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0186 0.0235
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0226 0.0224
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0392 0.1668 0.1644
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0155 0.0165
Schistosoma mansoni inositol monophosphatase 0.0036 0.0044 0.0016
Giardia lamblia GTOR 0.0052 0.0117 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.0133 0.0104
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Loa Loa (eye worm) hypothetical protein 0.0035 0.0043 0.0052
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0226 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0069 0.0068
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0039 0.001
Brugia malayi PHD-finger family protein 0.0208 0.083 0.106
Echinococcus granulosus fetal alzheimer antigen falz 0.0188 0.074 0.0738
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 0.0165
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.006 0.0155 0.6887
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0069 0.0068
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 1
Echinococcus multilocularis tar DNA binding protein 0.0468 0.2015 0.2014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0035 0.0029
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0052 0.0117 0.1744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Loa Loa (eye worm) heterochromatin protein 1 0.0367 0.1555 0.1988
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.006 0.0155 0.0127
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0226 0.2214
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Schistosoma mansoni methyl-cpg binding protein mbd 0.0143 0.0531 0.0503
Onchocerca volvulus 0.0048 0.0099 0.0079
Plasmodium vivax hypothetical protein, conserved 0.006 0.0155 0.1525
Schistosoma mansoni hypothetical protein 0.0172 0.0667 0.064
Schistosoma mansoni bromodomain containing protein 0.0529 0.229 0.2268
Brugia malayi follicle stimulating hormone receptor 0.0224 0.0903 0.1153
Loa Loa (eye worm) jmjC domain-containing protein 0.0055 0.0133 0.0167
Schistosoma mansoni bromodomain containing protein 0.0036 0.0044 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0468 0.2015 0.1992
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0069 0.0068
Echinococcus granulosus tumor protein p63 0.0326 0.1368 0.1367
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0226 0.2214
Echinococcus multilocularis lamin dm0 0.0058 0.0144 0.0143
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.03 0.1249 0.1248
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0052 0.0117 0.6591
Echinococcus granulosus Chromobox protein 3 0.006 0.0155 0.0154
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0076 0.0228 0.0226
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0468 0.2015 0.2577
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.006 0.0155 0.1525
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Echinococcus multilocularis peregrin 0.0052 0.0119 0.0117
Leishmania major hypothetical protein, conserved 0.0128 0.0464 1
Brugia malayi Inositol-1 0.0036 0.0044 0.0054
Echinococcus granulosus lysine specific demethylase 5A 0.0055 0.0133 0.0131
Brugia malayi Protein cec-1. 0.006 0.0155 0.0196
Echinococcus granulosus tar DNA binding protein 0.0468 0.2015 0.2014
Brugia malayi Bromodomain containing protein 0.0627 0.2737 0.3501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0057 0.0054
Brugia malayi Pre-SET motif family protein 0.025 0.1019 0.1302
Onchocerca volvulus 0.031 0.1293 0.1424
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Schistosoma mansoni chromobox protein 0.006 0.0155 0.0127
Schistosoma mansoni smad1 5 8 and 0.0035 0.0039 0.001
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.0002
Echinococcus granulosus intermediate filament protein 0.0058 0.0144 0.0143
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.0364 0.0362
Echinococcus granulosus smad 0.0035 0.0039 0.0037
Echinococcus multilocularis chromobox protein 1 0.0367 0.1555 0.1553
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0118 0.0148
Loa Loa (eye worm) hypothetical protein 0.0048 0.0099 0.0124
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 0.0165
Schistosoma mansoni chromobox protein 0.0367 0.1555 0.153
Onchocerca volvulus 0.0058 0.0144 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0083 0.0083
Trichomonas vaginalis chromobox protein, putative 0.006 0.0155 0.0165
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0008
Schistosoma mansoni methyl-cpg binding protein mbd 0.0143 0.0531 0.0503
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0226 0.0224
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0155 0.0165
Echinococcus granulosus zinc finger protein 0.0164 0.0627 0.0625
Schistosoma mansoni chromodomain helicase DNA binding protein 0.006 0.0155 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0022 0.0015
Trichomonas vaginalis chromobox protein, putative 0.0222 0.0891 0.0991
Schistosoma mansoni hypothetical protein 0.006 0.0155 0.0127
Loa Loa (eye worm) hypothetical protein 0.006 0.0155 0.0196
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0044 0.004
Trypanosoma cruzi target of rapamycin kinase 3 0.0041 0.0069 0.0598
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0039 0.0037
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.031 0.1293 0.1268
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0029 0.0283
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0022 0.0026
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0155 0.0165
Echinococcus granulosus histone lysine methyltransferase setb 0.0392 0.1668 0.1667
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0041 0.0069 0.0598
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0265 0.0237
Toxoplasma gondii target of rapamycin (TOR), putative 0.0039 0.0057 0.0559
Loa Loa (eye worm) hypothetical protein 0.0356 0.1505 0.1924
Trichomonas vaginalis conserved hypothetical protein 0.0206 0.0819 0.0911
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0069 0.0068
Echinococcus granulosus methyl CpG binding domain protein 2 0.0143 0.0531 0.0529
Brugia malayi jmjC domain containing protein 0.0055 0.0133 0.0167
Trichomonas vaginalis set domain proteins, putative 0.1982 0.8907 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0052 0.0117 0.0116
Loa Loa (eye worm) Smad1 0.0035 0.0039 0.0047
Schistosoma mansoni zinc finger protein 0.0128 0.0464 0.0436

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 21.8724 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.5412 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 48.9662 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.1306 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.6448 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.