Detailed information for compound 1225346

Basic information

Technical information
  • TDR Targets ID: 1225346
  • Name: (3aS,5S,9aS)-2-methyl-5-[5-methyl-2-(1H-pyraz ol-1-yl)phenyl]hexahydro-7H-pyrrolo[3,4-g]pyr rolizin-1(2H)-one
  • MW: 336.431 | Formula: C20H24N4O
  • H donors: 0 H acceptors: 2 LogP: 2.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)[C@@H]1C[C@@H]2[C@]3(N1CCC3)C(=O)N(C2)C)n1cccn1
  • InChi: 1S/C20H24N4O/c1-14-5-6-17(24-10-4-8-21-24)16(11-14)18-12-15-13-22(2)19(25)20(15)7-3-9-23(18)20/h4-6,8,10-11,15,18H,3,7,9,12-13H2,1-2H3/t15-,18-,20-/m0/s1
  • InChiKey: JSKSREXPGOAYSY-QSFXBCCZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000733508
  • SMR000315933

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0191 0.3974 0.7506
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0485 0.073
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Brugia malayi CXXC zinc finger family protein 0.0033 0.0513 0.0772
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0113 0.008
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0146 0.0146
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trypanosoma brucei glucose transporter 2A 0.0032 0.0494 0.8107
Schistosoma mansoni cpg binding protein 0.0037 0.0598 0.0598
Echinococcus multilocularis Chromo domain 0.0012 0.006 0.006
Brugia malayi chromobox protein homolog 3 0.0041 0.07 0.1056
Brugia malayi Cam kinase protein 1 0.0031 0.0485 0.073
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0113 0.008
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trypanosoma cruzi ISWI complex protein 0.0016 0.0151 0.0804
Loa Loa (eye worm) hypothetical protein 0.0172 0.3566 0.5389
Echinococcus multilocularis solute carrier family 22 0.0014 0.0113 0.0113
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0494 0.0661
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0485 0.0485
Schistosoma mansoni glutaminase 0.0312 0.6616 0.6616
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.0898 0.0898
Leishmania major hypothetical protein, conserved 0.0016 0.0151 0.0804
Brugia malayi acetyltransferase, GNAT family protein 0.0168 0.3467 0.5239
Loa Loa (eye worm) glutaminase 2 0.0312 0.6616 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1262 0.1906
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0223 1
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0486 0.0458
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1262 0.1906
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0113 0.0113
Plasmodium falciparum protein kinase 6 0.0436 0.9342 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0002 0.0002
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.006 0.0088
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.006 0.006
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0486 0.0458
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0002 0.0002
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0299 0.0363
Schistosoma mansoni chromobox protein 0.0012 0.006 0.006
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0513 0.0772
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0223 0.0248
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0494 0.8107
Echinococcus granulosus solute carrier family 22 0.0014 0.0113 0.0113
Treponema pallidum prolyl-tRNA synthetase 0.0011 0.0035 0.5
Echinococcus granulosus tar DNA binding protein 0.0067 0.1262 0.1262
Mycobacterium ulcerans sugar transporter 0.0014 0.0113 0.0118
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0113 0.0167
Onchocerca volvulus 0.0014 0.0113 0.0209
Plasmodium vivax CDK-related protein kinase 6, putative 0.0436 0.9342 1
Echinococcus multilocularis solute carrier family 22 0.0014 0.0113 0.0113
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.095 0.1433
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0485 0.073
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0299 0.0299
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0583 0.0563
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0503 0.0503
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1262 0.1262
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0113 0.0113
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0017 0.0162 0.0162
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.0113 0.0118
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0191 0.0191
Echinococcus multilocularis Chromobox protein 3 0.0012 0.006 0.006
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0044 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1262 0.1262
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0002 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0485 0.0485
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0162 0.0162
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus multilocularis geminin 0.0193 0.4024 0.4024
Onchocerca volvulus 0.0014 0.0113 0.0209
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0494 0.0661
Brugia malayi Sugar transporter family protein 0.0103 0.2046 0.309
Schistosoma mansoni dishevelled 0.0009 0.0002 0.0002
Schistosoma mansoni chromobox protein 0.0074 0.1409 0.1409
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0583 1
Loa Loa (eye worm) sugar transporter 0.0103 0.2046 0.309
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0162 0.0162
Echinococcus multilocularis cpg binding protein 0.0037 0.0598 0.0598
Loa Loa (eye worm) hypothetical protein 0.0041 0.0685 0.1032
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0113 0.0167
Brugia malayi hypothetical protein 0.0014 0.0113 0.0167
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Echinococcus granulosus solute carrier family 22 0.0014 0.0113 0.0113
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0915 0.1484
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0166 0.3431 0.5576
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0162 0.0241
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0223 0.0248
Leishmania major glucose transporter, lmgt3 0.0032 0.0494 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Loa Loa (eye worm) hypothetical protein 0.0031 0.0471 0.0709
Schistosoma mansoni chromobox protein 0.0012 0.006 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0494 0.0661
Schistosoma mansoni sugar transporter 0.0014 0.0113 0.0113
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0486 0.0458
Onchocerca volvulus 0.0172 0.3566 0.6735
Echinococcus granulosus chromobox protein 1 0.0074 0.1409 0.1409
Schistosoma mansoni dep domain containing protein 0.0009 0.0002 0.0002
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0494 0.8107
Schistosoma mansoni hypothetical protein 0.0466 1 1
Schistosoma mansoni protein kinase 0.0031 0.0485 0.0485
Trichomonas vaginalis sugar transport protein, putative 0.0014 0.0113 0.008
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0168 0.3467 0.3467
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0486 0.0458
Echinococcus multilocularis zinc finger protein 0.0027 0.0379 0.0379
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Plasmodium falciparum protein kinase 7 0.029 0.6151 0.6562
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0299 0.395
Echinococcus granulosus GPCR family 2 0.0017 0.0162 0.0162
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0044 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Schistosoma mansoni cpg binding protein 0.0037 0.0598 0.0598
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0113 0.008
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0002 0.0002
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0471 0.0709
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0299 0.0299
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0223 0.0248
Onchocerca volvulus 0.0014 0.0113 0.0209
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0299 0.3046
Brugia malayi Protein cec-1. 0.0012 0.006 0.0088
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0237 0.0269
Toxoplasma gondii protein kinase, putative 0.029 0.6151 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Loa Loa (eye worm) sugar transporter 0.0014 0.0113 0.0167
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Schistosoma mansoni cpg binding protein 0.0033 0.0513 0.0513
Schistosoma mansoni bromodomain containing protein 0.001 0.0025 0.0025
Brugia malayi glutaminase DH11.1 0.0312 0.6616 1
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0471 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Entamoeba histolytica protein kinase, putative 0.0031 0.0485 0.5976
Echinococcus granulosus chromobox protein 2 0.0012 0.006 0.006
Onchocerca volvulus 0.0014 0.0113 0.0209
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0494 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0471 0.0471
Trichomonas vaginalis glucose transporter, putative 0.0014 0.0113 0.008
Onchocerca volvulus 0.0014 0.0113 0.0209
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0462 0.0462
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0113 0.0167
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0359 0.0359
Brugia malayi Pre-SET motif family protein 0.0221 0.4628 0.6995
Onchocerca volvulus 0.0014 0.0113 0.0209
Echinococcus multilocularis solute carrier family 22 0.0014 0.0113 0.0113
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0494 0.8107
Echinococcus granulosus chromobox protein 1 0.0074 0.1409 0.1409
Loa Loa (eye worm) bromodomain containing protein 0.0023 0.0294 0.0441
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Schistosoma mansoni sugar transporter 0.0014 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0051 0.0913 0.1377
Loa Loa (eye worm) hypothetical protein 0.0017 0.0162 0.0241
Onchocerca volvulus 0.0014 0.0113 0.0209
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1262 0.1262
Brugia malayi Sugar transporter family protein 0.0014 0.0113 0.0167
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1262 0.1262
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0113 0.0113
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0494 0.8107
Brugia malayi CHD4 protein 0.0016 0.0146 0.0217
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0915 0.1303
Loa Loa (eye worm) hypothetical protein 0.0053 0.095 0.1433
Entamoeba histolytica hypothetical protein 0.0043 0.0747 0.9662
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0485 0.073
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0915 0.1484
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0583 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0168 0.3467 0.3467
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Onchocerca volvulus 0.0012 0.006 0.011
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0915 0.1303
Leishmania major protein kinase, putative 0.0031 0.0485 0.7919
Loa Loa (eye worm) acetyltransferase 0.0168 0.3467 0.5239
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0471 0.0709
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0162 0.0241
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0223 0.0248
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0299 0.0482
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0503 0.0815
Brugia malayi RNA binding protein 0.0067 0.1262 0.1906
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0486 0.0458
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Brugia malayi SET domain containing protein 0.0014 0.0102 0.015
Echinococcus multilocularis chromobox protein 2 0.0012 0.006 0.006
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Schistosoma mansoni hypothetical protein 0.0036 0.0585 0.0585
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0471 0.0471
Schistosoma mansoni hypothetical protein 0.0043 0.0747 0.0747
Onchocerca volvulus 0.0014 0.0113 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0436 0.0574
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0486 0.0458
Echinococcus multilocularis GPCR, family 2 0.0017 0.0162 0.0162
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0494 0.0661
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1409 0.2057
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Schistosoma mansoni hypothetical protein 0.0103 0.2046 0.2046
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0494 0.8107
Schistosoma mansoni zinc finger protein 0.0016 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0034
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0471 0.0471
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0471 0.578
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0494 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.1342 0.1342
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0628 0.0628
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.006 0.006
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0915 0.092
Entamoeba histolytica hypothetical protein 0.0043 0.0747 0.9662
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0148 0.0133
Toxoplasma gondii sugar transporter ST3 0.0014 0.0113 0.018
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0299 0.0401
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Trichomonas vaginalis set domain proteins, putative 0.0251 0.5294 0.7983
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0002 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0769 0.1081
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Echinococcus multilocularis chromobox protein 1 0.0074 0.1409 0.1409
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0113 0.0167
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0223 0.0248
Schistosoma mansoni hypothetical protein 0.0012 0.006 0.006
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0471 0.5444
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0471 0.0627
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0191 0.0191
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.006 0.0095
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0583 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.3311 0.3311
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0113 0.0113
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0113 0.0113
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0274 0.0411
Brugia malayi hypothetical protein 0.0014 0.0113 0.0167
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0299 0.395
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.2046 0.3028
Echinococcus multilocularis chromobox protein 1 0.0074 0.1409 0.1409
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Schistosoma mansoni glucose transport protein 0.0103 0.2046 0.2046
Mycobacterium ulcerans glutaminase 0.0312 0.6616 1
Schistosoma mansoni hypothetical protein 0.0193 0.4024 0.4024
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.0113 0.0118
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0486 0.0458
Brugia malayi Bromodomain containing protein 0.0085 0.1662 0.2509
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0085 0.0125
Brugia malayi hypothetical protein 0.0012 0.006 0.0088
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Onchocerca volvulus 0.0014 0.0113 0.0209
Trichomonas vaginalis glutaminase, putative 0.0312 0.6616 1
Echinococcus multilocularis dnaJ subfamily B 0.0466 1 1
Plasmodium vivax hexose transporter 0.0103 0.2046 0.2139
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1262 0.1262
Onchocerca volvulus 0.0251 0.5294 1
Schistosoma mansoni bromodomain containing protein 0.0073 0.139 0.139
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.006 0.0095
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0494 0.0661
Loa Loa (eye worm) hypothetical protein 0.0031 0.0485 0.073
Schistosoma mansoni sugar transporter 0.0014 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0017 0.0162 0.0162
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1262 0.1262
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0747 0.0747
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0359 0.0359
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0443 0.0443
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0583 0.0945
Schistosoma mansoni dishevelled 0.0009 0.0002 0.0002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.4628 0.6995
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0585 0.0881
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0486 0.0786
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0436 0.0574
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.1323 0.2148
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.005 0.0898 0.0898
Echinococcus granulosus Chromobox protein 3 0.0012 0.006 0.006
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1409 0.2057
Toxoplasma gondii transporter, major facilitator family protein 0.0014 0.0113 0.018
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0148 0.0133
Loa Loa (eye worm) hypothetical protein 0.0191 0.3974 0.6006
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0178 0.1383
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Schistosoma mansoni hypothetical protein 0.0193 0.4024 0.4024
Trypanosoma brucei glucose transporter 1E 0.0032 0.0494 0.8107
Schistosoma mansoni glucose transport protein 0.0103 0.2046 0.2046
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.07 0.0976
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0769 0.1081
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0299 0.2821
Echinococcus granulosus solute carrier family 22 0.0014 0.0113 0.0113
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0223 0.0248
Onchocerca volvulus 0.0014 0.0113 0.0209
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Leishmania major glucose transporter, lmgt1 0.0032 0.0494 0.8107
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0162 0.0241
Brugia malayi major facilitator superfamily protein 0.0014 0.0113 0.0167
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0113 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0771 1
Loa Loa (eye worm) glutaminase 0.0312 0.6616 1
Plasmodium falciparum hexose transporter 0.0103 0.2046 0.2139
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0898 0.1354
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0113 0.008
Onchocerca volvulus 0.0044 0.0767 0.1445
Echinococcus granulosus histone lysine methyltransferase setb 0.005 0.0898 0.0898
Brugia malayi Heterochromatin protein 1 0.0074 0.1409 0.2127
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0166 0.3431 0.3631
Entamoeba histolytica hypothetical protein 0.0043 0.0747 0.9662
Brugia malayi Valyl-tRNA synthetase 0.0012 0.006 0.0088
Loa Loa (eye worm) hypothetical protein 0.0047 0.0828 0.1248
Loa Loa (eye worm) RNA binding protein 0.0067 0.1262 0.1906
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.006 0.006
Onchocerca volvulus 0.0014 0.0113 0.0209
Schistosoma mansoni hypothetical protein 0.0017 0.0162 0.0162
Brugia malayi major facilitator superfamily protein 0.0014 0.0113 0.0167
Schistosoma mansoni protein kinase 0.0031 0.0485 0.0485
Plasmodium falciparum mitogen-activated protein kinase 2 0.0166 0.3431 0.3631
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0359 0.0359
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Toxoplasma gondii sugar transporter ST1 0.0014 0.0113 0.018
Onchocerca volvulus 0.0033 0.0513 0.0965
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.006 0.006
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.1308 0.1308
Brugia malayi hypothetical protein 0.0014 0.0113 0.0167
Brugia malayi N-terminal motif family protein 0.0191 0.3974 0.6006
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0915 0.0915
Onchocerca volvulus 0.0014 0.0113 0.0209
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.095 0.1433
Toxoplasma gondii sugar transporter ST2 0.0014 0.0113 0.018
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.07 0.0976
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0103 0.2046 0.2046
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Onchocerca volvulus Putative transporter 0.0014 0.0113 0.0209
Entamoeba histolytica hypothetical protein 0.0023 0.0299 0.335
Plasmodium vivax sugar transporter, putative 0.0014 0.0113 0.0056
Echinococcus granulosus Chromo domain 0.0012 0.006 0.006
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0025 0.0345 0.0518
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0162 0.0162
Brugia malayi hypothetical protein 0.0043 0.0747 0.1127
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0485 0.7919
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.1308 0.1308
Schistosoma mansoni chromobox protein 0.0074 0.1409 0.1409
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0628 0.0628
Onchocerca volvulus 0.0014 0.0113 0.0209
Trichomonas vaginalis myo-inositol transporter, putative 0.0014 0.0113 0.008
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.006 0.0095
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.07 0.1319
Onchocerca volvulus 0.0014 0.0113 0.0209
Trypanosoma brucei ISWI complex protein 0.0016 0.0151 0.0804
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0223 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0103 0.2046 0.3323
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0486 0.0786
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0223 0.0248
Schistosoma mansoni zinc finger protein 0.0027 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0075 0.1433 0.2164
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0088
Leishmania major glucose transporter, lmgt2 0.0032 0.0494 0.8107
Entamoeba histolytica protein kinase, putative 0.0031 0.0485 0.5976
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0017 0.0162 0.0162
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0044 0.0044
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Plasmodium vivax SET domain protein, putative 0.0032 0.0503 0.0477
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0191 0.0191
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0002 0.0002
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0002 0.0002
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0299 0.0448
Echinococcus granulosus cpg binding protein 0.0037 0.0598 0.0598
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0299 0.395
Echinococcus multilocularis General substrate transporter 0.0088 0.1729 0.1729
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0299 0.0257
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.006 0.0088
Loa Loa (eye worm) hypothetical protein 0.0031 0.0471 0.0709
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0494 0.0661
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0583 0.0563
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1262 0.1906
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0443 0.0443
Brugia malayi Pre-SET motif family protein 0.0032 0.0503 0.0757
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.0113 0.0118
Trypanosoma brucei glucose transporter, putative 0.0032 0.0494 0.8107
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0022 0.0274 0.0274
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Brugia malayi hypothetical protein 0.0172 0.3566 0.5389
Schistosoma mansoni glucose transport protein 0.0103 0.2046 0.2046
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0136 0.0115
Entamoeba histolytica hypothetical protein 0.0043 0.0747 0.9662
Echinococcus granulosus General substrate transporter 0.0088 0.1729 0.1729
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0485 0.0648
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0747 0.0747
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0583 1
Schistosoma mansoni glucose transporter 0.0014 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.005 0.0898 0.0898
Brugia malayi PHD-finger family protein 0.0032 0.0502 0.0756
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0162 0.0162
Loa Loa (eye worm) helicase 0.0012 0.006 0.0088
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0769 0.1449
Onchocerca volvulus 0.0012 0.006 0.011
Onchocerca volvulus 0.0014 0.0113 0.0209
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0583 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.07 0.1056
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0074 0.0108
Schistosoma mansoni sugar transporter 0.0014 0.0113 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0113 0.008
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0146 0.0217
Onchocerca volvulus 0.0014 0.0113 0.0209
Loa Loa (eye worm) hypothetical protein 0.0036 0.0585 0.0881
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0771 1
Schistosoma mansoni protein kinase 0.0031 0.0485 0.0485
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0299 0.0257
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0014 0.0113 0.0056
Echinococcus multilocularis solute carrier family 22 0.0014 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0032 0.0505 0.076
Loa Loa (eye worm) hypothetical protein 0.0023 0.0299 0.0448
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1409 0.2127
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0167
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2046 0.2046
Trypanosoma cruzi hexose transporter 0.0032 0.0494 0.8107
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0299 0.0401
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0113 0.008
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0485 0.0485
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0471 0.0471
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.006 0.006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0223 0.0248
Brugia malayi Bromodomain containing protein 0.0045 0.0771 0.1163
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0113 0.0167
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0771 0.0766
Schistosoma mansoni hypothetical protein 0.0016 0.0151 0.0151
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0486 0.0458
Onchocerca volvulus 0.0032 0.0505 0.095
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0002 0.0002
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0503 0.0503
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0486 0.0458
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0486 0.0786
Echinococcus granulosus solute carrier family 22 0.0014 0.0113 0.0113
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.006 0.0088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.095 0.1433
Echinococcus granulosus geminin 0.0193 0.4024 0.4024
Brugia malayi TAR-binding protein 0.0067 0.1262 0.1906
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0002 0.0002
Echinococcus granulosus zinc finger protein 0.0027 0.0379 0.0379
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0494 0.0661
Trypanosoma cruzi ISWI complex protein 0.0016 0.0151 0.0804
Brugia malayi Sugar transporter family protein 0.0014 0.0113 0.0167

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the binding of Siah-1 and a peptide ligand via a fluorescence polarization assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1826, AID2127, AID2141] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory screen for the Siah-1 primary assay utilizing an alternative fluorophore, fluorescein-labeled plectin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
Potency (functional) 0.1636 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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