Detailed information for compound 587993

Basic information

Technical information
  • TDR Targets ID: 587993
  • Name: (8S,9S,10S,13S,14S)-13-methyl-10-(methylsulfa nylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro -1H-cyclopenta[a]phenanthrene-3,17-dione
  • MW: 332.5 | Formula: C20H28O2S
  • H donors: 0 H acceptors: 2 LogP: 3.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
  • InChi: 1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15-,16-,17-,19-,20+/m0/s1
  • InChiKey: FDHUZZLLTRFCDB-VDWQKOAOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (8S,9S,10S,13S,14S)-13-methyl-10-[(methylthio)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
  • (8S,9S,10S,13S,14S)-13-methyl-10-[(methylthio)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone
  • 19-thiomethylandrost-4-ene-3,17-dione
  • 90212-03-6
  • 19-Tmaed
  • Androst-4-ene-3,17-dione, 19-(methylthio)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 19, subfamily A, polypeptide 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
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni microtubule-associated protein tau 0.0712 0.9745 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0646 0.0643
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0503 0.1168
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0134 0.0114
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0493 0.7802
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0091 0.012
Brugia malayi hypothetical protein 0.0051 0.0493 0.0557
Loa Loa (eye worm) hypothetical protein 0.0117 0.1422 0.1584
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0037 0.0338
Schistosoma mansoni cpg binding protein 0.0071 0.0774 0.0775
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0044 0.0024
Plasmodium vivax JmjC domain containing protein 0.0019 0.0044 0.0402
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0493 0.7802
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.4898
Loa Loa (eye worm) hypothetical protein 0.0057 0.0587 0.0628
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0493 0.4531
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0463 0.0444
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0679 0.3338
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0646 0.0643
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0028 0.0174 0.0159
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0241 0.3159 0.3576
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0126 0.021
Echinococcus multilocularis jumonji domain containing protein 0.008 0.0902 0.0907
Echinococcus granulosus jumonji domain containing protein 0.008 0.0902 0.0907
Echinococcus multilocularis pyruvate kinase 0.0035 0.0276 0.0263
Loa Loa (eye worm) hypothetical protein 0.0137 0.1702 0.1905
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0646 0.0643
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0276 0.1297
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0126 0.0539
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.0276 1
Brugia malayi PHD-finger family protein 0.0083 0.0945 0.1073
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0126 0.021
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0019 0.0047 0.0065
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0316 0.5066
Schistosoma mansoni zinc finger protein 0.0067 0.0717 0.0717
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0327 0.0307
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0646 0.0643
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0241 0.3159 0.3601
Schistosoma mansoni bromodomain containing protein 0.02 0.2582 0.2634
Loa Loa (eye worm) hypothetical protein 0.0035 0.0276 0.027
Brugia malayi Importin beta-1 subunit 0.006 0.0622 0.0704
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0026 0.0031
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.0587 0.3504
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.4898
Echinococcus granulosus pyruvate kinase 0.0018 0.0037 0.0017
Echinococcus granulosus pyruvate kinase 0.0018 0.0037 0.0017
Brugia malayi intermediate filament protein 0.0027 0.0169 0.0186
Echinococcus multilocularis cpg binding protein 0.0071 0.0774 0.0775
Echinococcus multilocularis zinc finger protein 0.0067 0.0717 0.0717
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0731 0.0713
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0374 0.084
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.1856 0.1888
Toxoplasma gondii hypothetical protein 0.0048 0.0461 0.2699
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0644 0.0692
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0327 0.072
Loa Loa (eye worm) hypothetical protein 0.0098 0.1161 0.1285
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0641 0.8762 1
Echinococcus granulosus phd:f box containing protein 0.0019 0.0044 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.016 0.0141
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0463 0.0444
Echinococcus multilocularis geminin 0.0515 0.6995 0.7172
Schistosoma mansoni intermediate filament proteins 0.0027 0.0169 0.0153
Schistosoma mansoni hypothetical protein 0.0515 0.6995 0.7172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0241 0.3159 0.3228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0093 0.1088 0.1099
Trypanosoma cruzi ISWI complex protein 0.0047 0.0437 0.1001
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.0587 0.3504
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0044 0.0024
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0028
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0327 0.5268
Echinococcus granulosus muscleblind protein 0.029 0.3844 0.3932
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0057 0.0587 0.0584
Echinococcus multilocularis lamin dm0 0.0027 0.0169 0.0153
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0318 0.0306
Loa Loa (eye worm) hypothetical protein 0.029 0.3844 0.4361
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0022 0.0098 0.008
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0044 0.0024
Trichomonas vaginalis set domain proteins, putative 0.073 1 1
Loa Loa (eye worm) inositol-1 0.0038 0.0318 0.0319
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0679 0.0677
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0374 0.084
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0318 0.0298
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0134 0.0114
Loa Loa (eye worm) hypothetical protein 0.0038 0.0315 0.0316
Leishmania major pyruvate kinase 0.0035 0.0276 0.059
Schistosoma mansoni cpg binding protein 0.0061 0.0644 0.0641
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0276 0.0151
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0646 0.0694
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0465 0.4272
Brugia malayi Heterochromatin protein 1 0.0068 0.0731 0.0828
Echinococcus multilocularis musashi 0.0027 0.0169 0.0153
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0126 0.095
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0273 0.0261
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0327 0.072
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0316 0.6034
Leishmania major hypothetical protein, conserved 0.0047 0.0437 0.1001
Loa Loa (eye worm) hypothetical protein 0.029 0.3844 0.4361
Echinococcus multilocularis pyruvate kinase 0.0035 0.0276 0.0263
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0044 0.0024
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0044 0.0024
Echinococcus multilocularis pyruvate kinase 0.0018 0.0037 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 0.3159 0.3228
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0646 0.0694
Echinococcus multilocularis peregrin 0.0068 0.0737 0.0737
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0679 0.3338
Onchocerca volvulus 0.0104 0.1243 0.1131
Schistosoma mansoni chromodomain helicase DNA binding protein 0.002 0.007 0.0051
Leishmania major GTP-binding protein, putative 0.0022 0.0091 0.012
Toxoplasma gondii histone lysine methyltransferase SET1 0.013 0.1608 1
Leishmania major pyruvate kinase 0.0035 0.0276 0.059
Loa Loa (eye worm) RNA binding protein 0.0062 0.0646 0.0694
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0028 0.0174 0.0159
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0493 0.1142
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.003 0.001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0026 0.0031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0026 0.0031
Brugia malayi chromobox protein homolog 3 0.0038 0.0315 0.0354
Echinococcus granulosus zinc finger protein 0.0067 0.0717 0.0717
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0493 0.1142
Brugia malayi Bromodomain containing protein 0.0236 0.3082 0.3513
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0679 0.0677
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0241 0.3159 0.3228
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0465 0.0458
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0276 0.059
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.0028
Loa Loa (eye worm) hypothetical protein 0.0051 0.0493 0.052
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0276 0.027
Schistosoma mansoni ap endonuclease 0.0039 0.0327 0.0316
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0169 0.0186
Echinococcus multilocularis snurportin 1 0.0638 0.8721 0.8947
Brugia malayi Pre-SET motif family protein 0.0093 0.1088 0.1237
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0465 0.2725
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0004
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0327 0.0307
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1769 0.4386
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.002 0.007 0.0051
Loa Loa (eye worm) PHD-finger family protein 0.0057 0.0587 0.0628
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0019 0.0045 0.0026
Schistosoma mansoni inositol monophosphatase 0.0038 0.0318 0.0306
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0126 0.095
Schistosoma mansoni jumonji/arid domain-containing protein 0.0079 0.0887 0.0891
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0327 0.0316
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0679 0.4085
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.1993 1
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0276 0.027
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0127 0.0973
Loa Loa (eye worm) hypothetical protein 0.0024 0.0126 0.0099
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0327 0.072
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.1856 0.1888
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0126 0.0138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 0.3159 0.3228
Plasmodium falciparum pyruvate kinase 0.0035 0.0276 0.4087
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0052 0.0512 0.0506
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0126 0.0539
Echinococcus multilocularis pyruvate kinase 0.0018 0.0037 0.0017
Schistosoma mansoni hypothetical protein 0.0035 0.0273 0.0261
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0044 0.0004
Echinococcus granulosus cpg binding protein 0.0071 0.0774 0.0775
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0327 0.3003
Schistosoma mansoni methyl-cpg binding protein mbd 0.0052 0.0512 0.0506
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0045 0.0026
Brugia malayi CXXC zinc finger family protein 0.0061 0.0644 0.0728
Schistosoma mansoni chromobox protein 0.0068 0.0731 0.0731
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0465 0.2725
Leishmania major mitochondrial DNA polymerase beta 0.03 0.3978 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0315 0.0191
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0091 0.0073
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.0622 0.1469
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0091 0.0927
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0276 0.059
Giardia lamblia PHD finger protein 15 0.0057 0.0587 1
Schistosoma mansoni importin beta-1 0.006 0.0622 0.0619
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.1856 0.2113
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0355 0.0232
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0126 0.0539
Schistosoma mansoni bromodomain containing protein 0.002 0.0064 0.0046
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0638 0.8721 0.9952
Schistosoma mansoni pyruvate kinase 0.0018 0.0037 0.0017
Echinococcus multilocularis muscleblind protein 1 0.029 0.3844 0.3932
Echinococcus granulosus histone lysine methyltransferase setb 0.0145 0.1816 0.1847
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.4898
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0318 0.0298
Echinococcus granulosus mixed lineage leukemia protein mll 0.0019 0.0045 0.0026
Schistosoma mansoni zinc finger protein 0.0047 0.0437 0.0429
Echinococcus granulosus lysine specific demethylase 5A 0.0079 0.0887 0.0891
Echinococcus granulosus peregrin 0.0068 0.0737 0.0737
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0134 0.0114
Loa Loa (eye worm) bromodomain containing protein 0.0057 0.0587 0.0627
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0044 0.012
Brugia malayi jmjC domain containing protein 0.0019 0.0044 0.0044
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0327 0.1555
Loa Loa (eye worm) hypothetical protein 0.0216 0.2802 0.3167
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.0756 0.0757
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0262 0.9456
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0091 0.0345
Schistosoma mansoni inositol monophosphatase 0.0038 0.0318 0.0306
Plasmodium falciparum importin beta, putative 0.006 0.0622 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0188 0.2414 0.2462
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0493 0.1142
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0134 0.1654 0.168
Echinococcus granulosus intermediate filament protein 0.0027 0.0169 0.0153
Chlamydia trachomatis pyruvate kinase 0.0035 0.0276 1
Echinococcus granulosus pyruvate kinase 0.0035 0.0276 0.0263
Trichomonas vaginalis ran, putative 0.0022 0.0091 0.0071
Echinococcus granulosus PHD finger protein rhinoceros 0.0057 0.0587 0.0584
Plasmodium vivax SET domain protein, putative 0.0093 0.1088 1
Echinococcus granulosus importin subunit beta 1 0.006 0.0622 0.0619
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0091 0.012
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0493 0.2904
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0276 0.0256
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.004 0.0055
Loa Loa (eye worm) acetyltransferase 0.0148 0.1856 0.2082
Onchocerca volvulus 0.0027 0.0169 0.0043
Schistosoma mansoni pyruvate kinase 0.0035 0.0276 0.0263
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0044 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 0.3159 0.3228
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0646 0.0643
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.002 0.007 0.0051
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0134 0.0114
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0102 0.0085
Schistosoma mansoni ran 0.0022 0.0091 0.0073
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0072 0.0796 0.0797
Loa Loa (eye worm) hypothetical protein 0.0027 0.0161 0.0139
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0318 0.9705
Echinococcus multilocularis microtubule associated protein 2 0.0712 0.9745 1
Toxoplasma gondii exonuclease III APE 0.0039 0.0327 0.1846
Brugia malayi jmjC domain containing protein 0.0019 0.0044 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0044 0.0024
Loa Loa (eye worm) hypothetical protein 0.0128 0.1571 0.1755
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.2386 0.2289
Loa Loa (eye worm) histone methyltransferase 0.0022 0.0098 0.0066
Brugia malayi hypothetical protein 0.0035 0.0273 0.0306
Echinococcus granulosus chromobox protein 1 0.0068 0.0731 0.0731
Loa Loa (eye worm) jmjC domain-containing protein 0.0079 0.0887 0.0971
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0276 0.1521
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.011 0.1318 0.1335
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0262 0.1226
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0318 0.0697
Onchocerca volvulus Alhambra homolog 0.0057 0.0587 0.0467
Brugia malayi jmjC domain containing protein 0.0019 0.0044 0.0044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0145 0.1816 0.1847
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0126 0.0138
Brugia malayi Bromodomain containing protein 0.0068 0.0737 0.0835
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0276 0.0151
Schistosoma mansoni methyl-cpg binding protein mbd 0.0052 0.0512 0.0506
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.3978 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0276 0.0151
Brugia malayi jmjC domain containing protein 0.0188 0.2414 0.275
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0044 0.0024
Echinococcus granulosus tar DNA binding protein 0.0062 0.0646 0.0643
Plasmodium vivax importin-beta 2, putative 0.006 0.0622 0.5712
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0026 0.0031
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0276 0.0309
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.1769 0.4386
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.004 0.0101
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0327 0.1555
Brugia malayi CHD4 protein 0.002 0.007 0.0074
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0126 0.0539
Echinococcus multilocularis pyruvate kinase 0.0028 0.0172 0.0157
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0355 0.0336
Brugia malayi N-terminal motif family protein 0.0186 0.2386 0.2719
Plasmodium vivax hypothetical protein, conserved 0.0057 0.0587 0.5397
Echinococcus granulosus geminin 0.0515 0.6995 0.7172
Schistosoma mansoni hypothetical protein 0.0047 0.0437 0.0429
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.3978 1
Brugia malayi Pre-SET motif family protein 0.0641 0.8762 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0241 0.3159 0.3228
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.0463 0.1067
Entamoeba histolytica hypothetical protein 0.0048 0.0463 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.01
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0276 0.0256
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0276 0.027
Echinococcus granulosus methyl CpG binding domain protein 2 0.0052 0.0512 0.0506
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0037 0.0308 0.0296
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0126 0.021
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0145 0.1816 0.1847
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0126 0.0099
Brugia malayi jmjC domain containing protein 0.0079 0.0887 0.1006
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0316 0.4769
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0044 0.0024
Brugia malayi PHD-finger family protein 0.0028 0.0178 0.0196
Toxoplasma gondii HEAT repeat-containing protein 0.006 0.0622 0.3722
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0126 0.0539
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0126 0.4158
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0025 0.0134 0.0114
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0318 0.0697
Schistosoma mansoni chromobox protein 0.0068 0.0731 0.0731
Echinococcus multilocularis pyruvate kinase 0.0018 0.0037 0.0017
Trypanosoma cruzi ISWI complex protein 0.0047 0.0437 0.1001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0241 0.3159 0.3228
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0189 0.2429 0.2477
Mycobacterium ulcerans hypothetical protein 0.0024 0.0126 0.0539
Schistosoma mansoni hypothetical protein 0.0023 0.0102 0.0085
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0318 0.1509
Echinococcus multilocularis lamin 0.0027 0.0169 0.0153
Schistosoma mansoni hypothetical protein 0.0063 0.0665 0.0663
Loa Loa (eye worm) CHromoDomain protein family member 0.002 0.007 0.0034
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0679 0.3338
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0025 0.0134 0.0114
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0044 0.0004
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0679 0.0677
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0315 0.0296
Schistosoma mansoni jumonji domain containing protein 0.0149 0.1874 0.1906
Loa Loa (eye worm) hypothetical protein 0.0027 0.0169 0.0147
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0276 0.1297
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0465 0.0446
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0188 0.2414 0.2462
Plasmodium falciparum phd finger protein, putative 0.0057 0.0587 0.9414
Echinococcus granulosus lamin dm0 0.0027 0.0169 0.0153
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0327 0.0316
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1699 0.1727
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0327 0.0329
Brugia malayi TAR-binding protein 0.0062 0.0646 0.0731
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.004 0.0367
Brugia malayi Inositol-1 0.0038 0.0318 0.0356
Schistosoma mansoni ran 0.0022 0.0091 0.0073
Brugia malayi RNA binding protein 0.0062 0.0646 0.0731
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.0622 0.1469
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0679 0.0677
Brugia malayi F/Y-rich N-terminus family protein 0.0047 0.0438 0.0494
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0091 0.0836
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0318 0.0697
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0126 0.4158
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0169 0.0147
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0127 0.01
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0126 0.0539
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0184
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0276 0.059
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0318 0.0697
Echinococcus multilocularis chromobox protein 1 0.0068 0.0731 0.0731
Echinococcus granulosus fetal alzheimer antigen falz 0.0072 0.0796 0.0797
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0169 0.0147
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0104 0.1243 0.1258
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0126 0.095
Onchocerca volvulus 0.003 0.0201 0.0075
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0044 0.0045
Brugia malayi hypothetical protein 0.0033 0.0242 0.027
Onchocerca volvulus 0.0027 0.0169 0.0043
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.011 0.1318 0.1335
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0189 0.2429 0.2477
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0044 0.0045
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0646 0.0731
Schistosoma mansoni hypothetical protein 0.0515 0.6995 0.7172
Trypanosoma brucei ISWI complex protein 0.0047 0.0437 0.1001
Echinococcus granulosus chromobox protein 1 0.0068 0.0731 0.0731
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0679 0.1614
Giardia lamblia Pyruvate kinase 0.0035 0.0276 0.4341
Brugia malayi Muscleblind-like protein 0.029 0.3844 0.4384
Schistosoma mansoni lamin 0.0027 0.0169 0.0153
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0327 0.0367
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0044 0.0024
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0134 0.0114
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0327 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0019 0.0047 0.0065
Echinococcus granulosus pyruvate kinase 0.0035 0.0276 0.0263
Schistosoma mansoni hypothetical protein 0.0057 0.0587 0.0584
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0276 0.2534
Echinococcus multilocularis muscleblind protein 0.029 0.3844 0.3932
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0047 0.0008
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0318 0.609
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0126 0.0539
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0099 0.0913
Loa Loa (eye worm) hypothetical protein 0.0024 0.0126 0.0099
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0088 0.1022 0.1031
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0126 0.0539
Loa Loa (eye worm) hypothetical protein 0.0028 0.0178 0.0158
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0091 0.0985
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.3978 1
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0318 0.0306
Echinococcus multilocularis importin subunit beta 1 0.006 0.0622 0.0619
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0374 0.084
Trichomonas vaginalis importin beta-1, putative 0.0048 0.0463 0.0444
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0091 0.0058
Brugia malayi Bromodomain containing protein 0.012 0.1467 0.1669
Mycobacterium ulcerans hypothetical protein 0.0158 0.1993 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0044 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0355 0.0336
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0072 0.0796 0.0797
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1769 0.4386
Echinococcus granulosus microtubule associated protein 2 0.0712 0.9745 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0327 0.4959
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0044 0.0024
Brugia malayi jmjC domain containing protein 0.0019 0.0044 0.0044
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0044 0.0024
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0091 0.012
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0091 0.0073
Leishmania major hypothetical protein, conserved 0.0051 0.0493 0.1142
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0047 0.0008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0145 0.1816 0.1847
Loa Loa (eye worm) hypothetical protein 0.0145 0.1816 0.2036
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.004 0.0101
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0093 0.1088 0.1099
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.4898
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0646 0.0643
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0045 0.0026
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0126 0.0138
Schistosoma mansoni jumonji/arid domain-containing protein 0.0079 0.0887 0.0891
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0044 0.0024
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0276 0.059
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0044 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0315 0.0296
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0679 0.3338
Echinococcus multilocularis chromobox protein 1 0.0068 0.0731 0.0731
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0327 0.072
Schistosoma mansoni lamin 0.0027 0.0169 0.0153
Onchocerca volvulus 0.0061 0.0644 0.0524
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0731 0.0792
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0022 0.0098 0.008
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0327 0.6333
Loa Loa (eye worm) PHD-finger family protein 0.0063 0.0665 0.0717
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0273 0.0261
Leishmania major importin beta-1 subunit, putative 0.0048 0.0463 0.1067
Loa Loa (eye worm) hypothetical protein 0.006 0.0622 0.0667
Schistosoma mansoni pyruvate kinase 0.0035 0.0276 0.0263
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0004
Echinococcus granulosus pyruvate kinase 0.0018 0.0037 0.0017
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0465 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.016 0.0141
Echinococcus granulosus lamin 0.0027 0.0169 0.0153
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0374 0.084
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0134 0.0114
Echinococcus multilocularis PHD finger protein rhinoceros 0.0057 0.0587 0.0584
Brugia malayi PHD-finger family protein 0.0057 0.0587 0.0664
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0126 0.0539
Echinococcus granulosus snurportin 1 0.0638 0.8721 0.8947
Schistosoma mansoni cpg binding protein 0.0071 0.0774 0.0775
Brugia malayi RNA, U transporter 1 0.017 0.2165 0.2466
Schistosoma mansoni hypothetical protein 0.0638 0.8721 0.8947
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0273 0.0261
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0276 0.0309
Brugia malayi AF-10 protein 0.0019 0.0047 0.0047
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0091 0.0097
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0318 0.0298
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0318 0.1788
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0022 0.0099 0.1071
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0102 0.0085
Loa Loa (eye worm) hypothetical protein 0.0186 0.2386 0.269
Loa Loa (eye worm) jmjC domain-containing protein 0.0118 0.1442 0.1608
Schistosoma mansoni ap endonuclease 0.0039 0.0327 0.0316
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0093 0.1088 0.6692
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0731 0.0713

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1 nM Competitive inhibition of aromatase (unknown origin) ChEMBL. 26469743

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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