Detailed information for compound 1256573

Basic information

Technical information
  • TDR Targets ID: 1256573
  • Name: (Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-3,3a,4, 6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic a cid
  • MW: 334.45 | Formula: C20H30O4
  • H donors: 1 H acceptors: 4 LogP: 3.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C\CCCC(=O)O
  • InChi: 1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1
  • InChiKey: CGCZPIJMGKLVTQ-PAJBVNRRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-diketo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic acid
  • BICYCLO PROSTAGLANDIN E2
  • MLS000028870
  • SMR000058895
  • 9,15-dioxo-5Z-prostaenoic acid-cyclo[11S,16]
  • LMFA03010034
  • bicyclo-PGE2

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0025 0.0023
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.003 0.0029
Schistosoma mansoni lamin 0.0026 0.0075 0.0094
Loa Loa (eye worm) hypothetical protein 0.0046 0.0197 0.0251
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0016 0.0014
Onchocerca volvulus 0.0026 0.0075 0.0742
Echinococcus multilocularis lamin 0.0026 0.0075 0.0074
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0136 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0148 0.0464
Brugia malayi hypothetical protein 0.0014 0.0001 0.0002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.01 0.0098
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0271 0.027
Echinococcus multilocularis geminin 0.0205 0.1166 0.1165
Echinococcus multilocularis GPCR, family 2 0.0018 0.0025 0.0023
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0088 0.0074
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.0556 1
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.0701 0.0895
Schistosoma mansoni coup transcription factor 0.003 0.01 0.0126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.01 0.0127
Echinococcus granulosus solute carrier family 5 0.0046 0.0197 0.025
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0148 0.0464
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0167 0.0166
Schistosoma mansoni chromobox protein 0.0068 0.0331 0.0421
Onchocerca volvulus Huntingtin homolog 0.0148 0.0819 0.8226
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.01 0.0126
Brugia malayi PHD-finger family protein 0.0029 0.0088 0.0113
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0001 0.0002
Toxoplasma gondii fructose-bisphospatase I 0.0481 0.286 0.3625
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0012 0.0013
Schistosoma mansoni lamin 0.0026 0.0075 0.0094
Loa Loa (eye worm) hypothetical protein 0.0177 0.0996 0.127
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0037 0.0047
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.003 0.0032
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0201
Echinococcus granulosus zinc finger protein 0.0019 0.0031 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0129 0.0701 0.0893
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0019 0.0025
Loa Loa (eye worm) RNA binding protein 0.0129 0.0701 0.0895
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0015
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0001 0.0002
Echinococcus multilocularis protein dispatched 1 0.0051 0.0228 0.0227
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0167 0.0211
Brugia malayi jmjC domain containing protein 0.0036 0.0136 0.0174
Schistosoma mansoni inositol transporter 0.0046 0.0197 0.025
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0197 0.025
Schistosoma mansoni zinc finger protein 0.0015 0.0005 0.0005
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0016 0.0018
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0271 0.0345
Onchocerca volvulus 0.003 0.01 0.099
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.01 0.0098
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0025 0.003
Brugia malayi glutaminase DH11.1 0.0268 0.1552 0.1981
Brugia malayi hypothetical protein 0.0041 0.0167 0.0213
Echinococcus multilocularis expressed conserved protein 0.0099 0.0517 0.0516
Loa Loa (eye worm) hypothetical protein 0.0042 0.0169 0.0216
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0481 0.286 0.3645
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.01 0.0127
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0189 0.0241
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0566 0.072
Loa Loa (eye worm) hypothetical protein 0.0105 0.0556 0.0709
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.01 0.0126
Echinococcus multilocularis lamin dm0 0.0026 0.0075 0.0074
Brugia malayi Bromodomain containing protein 0.0031 0.0102 0.0131
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.01 0.099
Brugia malayi nuclear receptor NHR-88 0.003 0.01 0.0127
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0012 0.0015
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0167 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.01 0.0127
Loa Loa (eye worm) TAR-binding protein 0.0129 0.0701 0.0895
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0157 0.0155
Schistosoma mansoni hypothetical protein 0.0018 0.0025 0.003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.01 0.0127
Echinococcus multilocularis peregrin 0.0031 0.0102 0.0101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.003 0.0029
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.003 0.0032
Schistosoma mansoni hypothetical protein 0.0029 0.0088 0.0111
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.01 0.0127
Onchocerca volvulus Huntingtin homolog 0.0148 0.0819 0.8226
Echinococcus granulosus chromobox protein 1 0.0068 0.0331 0.0421
Onchocerca volvulus Bile acid receptor homolog 0.003 0.01 0.099
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.01 0.0127
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.01 0.0098
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0197 0.0196
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0012 0.0015
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0154 0.0196
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.003 0.0032
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.0092
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0136 0.0172
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.01 0.0127
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.0227
Brugia malayi hypothetical protein 0.0016 0.0012 0.0015
Echinococcus granulosus jumonji domain containing protein 0.004 0.0157 0.0198
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0165 0.0585
Echinococcus granulosus peregrin 0.0031 0.0102 0.0129
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.01 0.0098
Schistosoma mansoni patched 1 0.0045 0.0189 0.024
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.405 0.405
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.003 0.0037
Brugia malayi isocitrate dehydrogenase 0.0019 0.003 0.0039
Echinococcus granulosus intermediate filament protein 0.0026 0.0075 0.0094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0016 0.0018
Echinococcus multilocularis FTZ F1 alpha 0.003 0.01 0.0098
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.01 0.0127
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0025 0.0031
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0075 0.0096
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.0701 0.0895
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.01 0.0126
Schistosoma mansoni hypothetical protein 0.0018 0.0025 0.003
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0197 0.025
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0075 0.0096
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0012 0.0013
Toxoplasma gondii fructose-bisphospatase II 0.1294 0.7837 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0337 0.043
Echinococcus multilocularis zinc finger protein 0.0019 0.0031 0.0029
Schistosoma mansoni bromodomain containing protein 0.0062 0.0293 0.0372
Schistosoma mansoni hypothetical protein 0.0018 0.0025 0.003
Loa Loa (eye worm) hypothetical protein 0.003 0.0097 0.0124
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0075 0.0096
Brugia malayi N-terminal motif family protein 0.0177 0.0996 0.127
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0016 0.0018
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.003 0.0029
Schistosoma mansoni chromobox protein 0.0068 0.0331 0.0421
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.01 0.0127
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0016 0.0018
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0129 0.0163
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.01 0.0126
Onchocerca volvulus 0.0046 0.0197 0.1967
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.01 0.0127
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.01 0.0126
Brugia malayi Bromodomain containing protein 0.0073 0.0363 0.0463
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Schistosoma mansoni hypothetical protein 0.0039 0.0154 0.0194
Loa Loa (eye worm) hypothetical protein 0.0148 0.0819 0.1045
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.0831 0.083
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1294 0.7837 1
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0001 0.0002
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0049 0.006
Giardia lamblia PHD finger protein 15 0.0029 0.0088 0.5
Schistosoma mansoni tar DNA-binding protein 0.0129 0.0701 0.0893
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0197 0.0251
Schistosoma mansoni fructose-16-bisphosphatase-related 0.1294 0.7837 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.01 0.0127
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0136 0.0172
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0368 0.0468
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.01 0.0098
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0197 0.0213
Echinococcus granulosus tar DNA binding protein 0.0129 0.0701 0.0893
Brugia malayi PHD-finger family protein 0.0024 0.0063 0.008
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.0996 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0049 0.006
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0049 0.0047
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.01 0.0098
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.01 0.0127
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.01 0.0126
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.01 0.0126
Loa Loa (eye worm) hypothetical protein 0.0017 0.0016 0.002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0025 0.003
Brugia malayi chromobox protein homolog 3 0.0038 0.0148 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.01 0.0127
Schistosoma mansoni sodium/solute symporter 0.0046 0.0197 0.025
Loa Loa (eye worm) hypothetical protein 0.0018 0.0025 0.0031
Brugia malayi CHE-14 protein 0.0045 0.0189 0.0241
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0136 0.0172
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.0227
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0197 0.025
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0189 0.0746
Echinococcus granulosus microtubule associated protein 2 0.0676 0.405 0.5168
Schistosoma mansoni nuclear hormone receptor 0.003 0.01 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.01 0.0127
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.01 0.099
Loa Loa (eye worm) steroid hormone receptor 0.003 0.01 0.0127
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0001 0.0002
Brugia malayi conserved hypotetical protein 0.0014 0.0001 0.0002
Schistosoma mansoni inositol transporter 0.0046 0.0197 0.025
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0015
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.01 0.0126
Schistosoma mansoni hypothetical protein 0.0018 0.0025 0.003
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0189 0.024
Brugia malayi Steroid receptor seven-up type 2 0.003 0.01 0.0127
Schistosoma mansoni thyroid hormone receptor 0.003 0.01 0.0126
Brugia malayi nuclear receptor NHR-67 0.0014 0.0001 0.0002
Echinococcus granulosus expressed conserved protein 0.0099 0.0517 0.0658
Brugia malayi hypothetical protein 0.0014 0.0001 0.0002
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.01 0.0126
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0088 0.0113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0148 0.0188
Loa Loa (eye worm) hypothetical protein 0.0039 0.0154 0.0196
Loa Loa (eye worm) hypothetical protein 0.042 0.2483 0.3169
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0015
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0075 0.0096
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.003 0.0032
Brugia malayi tailless protein 0.0014 0.0001 0.0002
Trichomonas vaginalis glutaminase, putative 0.0268 0.1552 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0016 0.0018
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0197 0.0196
Echinococcus multilocularis chromobox protein 1 0.0068 0.0331 0.033
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.2483 0.2482
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0189 0.0188
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0481 0.286 0.3625
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.01 0.0126
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.01 0.0126
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0016 0.0014
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.0556 0.0709
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.01 0.0098
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.01 0.0127
Brugia malayi nuclear receptor RXR 0.0014 0.0001 0.0002
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0088 0.0111
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.0831 0.1059
Brugia malayi ecdysteroid receptor 0.003 0.01 0.0127
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Brugia malayi nuclear receptor NHR-88 0.0014 0.0001 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0088 1
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0001 0.0002
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0486 0.0485
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.01 0.0127
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.01 0.0126
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.003 0.0029
Schistosoma mansoni glutaminase 0.0268 0.1552 0.1979
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0274 0.035
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0088 0.0074
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.01 0.0126
Plasmodium falciparum phd finger protein, putative 0.0029 0.0088 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0012 0.0015
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.0227
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0165 0.0585
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Schistosoma mansoni zinc finger protein 0.0019 0.0031 0.0038
Schistosoma mansoni high-affinity choline transporter 0.042 0.2483 0.3168
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.01 0.0127
Schistosoma mansoni hypothetical protein 0.0041 0.0167 0.0211
Brugia malayi jmjC domain containing protein 0.0093 0.0486 0.062
Brugia malayi hypothetical protein 0.0148 0.0819 0.1045
Echinococcus multilocularis chromobox protein 1 0.0068 0.0331 0.033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0265 0.0338
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0148 0.1471
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.003 0.0037
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.1294 0.7837 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0088 0.0113
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.003 0.0039
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.01 0.0126
Leishmania major 0.1294 0.7837 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0481 0.286 0.3645
Echinococcus multilocularis tar DNA binding protein 0.0129 0.0701 0.07
Brugia malayi nuclear hormone receptor 0.003 0.01 0.0127
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.01 0.0098
Brugia malayi Heterochromatin protein 1 0.0068 0.0331 0.0422
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.003 0.0032
Echinococcus multilocularis solute carrier family 5 0.0046 0.0197 0.0196
Loa Loa (eye worm) glutaminase 2 0.0268 0.1552 0.1981
Schistosoma mansoni tar DNA-binding protein 0.0129 0.0701 0.0893
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.0556 0.0554
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Brugia malayi GH02984p 0.042 0.2483 0.3169
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.01 0.0126
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0197 0.0196
Mycobacterium ulcerans glutaminase 0.0268 0.1552 0.5
Trypanosoma brucei fructose-1,6-bisphosphatase 0.1294 0.7837 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0088 0.0111
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0012 0.0011
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.1294 0.7837 0.7837
Loa Loa (eye worm) hypothetical protein 0.0038 0.0143 0.0183
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.01 0.0127
Schistosoma mansoni hypothetical protein 0.002 0.0037 0.0046
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0088 0.0087
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.01 0.0126
Echinococcus granulosus chromobox protein 1 0.0068 0.0331 0.0421
Brugia malayi RNA binding protein 0.0129 0.0701 0.0895
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.0227
Echinococcus granulosus FTZ F1 alpha 0.003 0.01 0.0126
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.0556 0.0708
Brugia malayi TAR-binding protein 0.0129 0.0701 0.0895
Onchocerca volvulus 0.003 0.0097 0.0962
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0127
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Loa Loa (eye worm) glutaminase 0.0268 0.1552 0.1981
Loa Loa (eye worm) DR-78 0.0014 0.0001 0.0002
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.003 0.5
Echinococcus multilocularis musashi 0.0026 0.0075 0.0074
Brugia malayi ecdysone receptor 0.0014 0.0001 0.0002
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0189 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.01 0.0127
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0025 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0129 0.0701 0.0893
Schistosoma mansoni hypothetical protein 0.0205 0.1166 0.1487
Brugia malayi intermediate filament protein 0.0026 0.0075 0.0096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0265 0.0338
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.003 0.0029
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0012 0.0013
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0025 0.0031
Brugia malayi steroid hormone receptor 0.003 0.01 0.0127
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0125 0.0124
Echinococcus multilocularis protein patched 0.0045 0.0189 0.0188
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0265 0.0338
Loa Loa (eye worm) hypothetical protein 0.0049 0.0213 0.0272
Brugia malayi nuclear hormone receptor 0.0014 0.0001 0.0002
Brugia malayi fructose-1,6-bisphosphatase 0.1294 0.7837 1
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0001 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0331 0.171
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0331 0.171
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0486 0.0618
Echinococcus granulosus lamin 0.0026 0.0075 0.0094
Echinococcus granulosus fructose 16 bisphosphatase 1 0.1294 0.7837 1
Brugia malayi Bromodomain containing protein 0.0037 0.0143 0.0182
Brugia malayi nuclear receptor RXR 0.0016 0.0012 0.0015
Loa Loa (eye worm) hypothetical protein 0.0045 0.0189 0.0241
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0481 0.286 0.3645
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0165 0.165
Brugia malayi hypothetical protein 0.0016 0.0012 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.01 0.0127
Loa Loa (eye worm) hypothetical protein 0.0055 0.0251 0.032
Schistosoma mansoni intermediate filament proteins 0.0026 0.0075 0.0094
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0197 0.025
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.01 0.0127
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0001 0.0002
Echinococcus granulosus GPCR family 2 0.0018 0.0025 0.003
Loa Loa (eye worm) hypothetical protein 0.0148 0.0819 0.1045
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0016 0.0018
Onchocerca volvulus 0.0026 0.0075 0.0742
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0001 0.0002
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0057 0.0265 0.0338
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.01 0.0127
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0015
Schistosoma mansoni hypothetical protein 0.0205 0.1166 0.1487
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0331 0.0422
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.405 0.5168
Schistosoma mansoni tar DNA-binding protein 0.0129 0.0701 0.0893
Echinococcus granulosus high affinity choline transporter 1 0.042 0.2483 0.3168
Onchocerca volvulus Alhambra homolog 0.0029 0.0088 0.0874
Echinococcus granulosus lamin dm0 0.0026 0.0075 0.0094
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.01 0.0126
Brugia malayi Isocitrate dehydrogenase 0.0019 0.003 0.0039
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0002
Echinococcus granulosus geminin 0.0205 0.1166 0.1487
Schistosoma mansoni thyroid hormone receptor 0.003 0.01 0.0126
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0129 0.0128
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1294 0.7837 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 2.132207884 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
IC50 (functional) 2.375303785 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8356 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 23.1093 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) 25.1189 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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

No literature references available for this target.

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