Detailed information for compound 503527

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 510.569 | Formula: C25H29F3N2O4S
  • H donors: 2 H acceptors: 3 LogP: 6.37 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CN(C1Cc2c(C1)ccc(c2)SC(C(=O)O)(C)C)C(=O)Nc1ccc(cc1)OC(F)(F)F)C
  • InChi: 1S/C25H29F3N2O4S/c1-15(2)14-30(23(33)29-18-6-8-20(9-7-18)34-25(26,27)28)19-11-16-5-10-21(13-17(16)12-19)35-24(3,4)22(31)32/h5-10,13,15,19H,11-12,14H2,1-4H3,(H,29,33)(H,31,32)
  • InChiKey: OZOLMCRNOXGXAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor Peroxisome proliferator-activated receptor alpha   468 aa 375 aa 25.1 %
Echinococcus multilocularis ecdysone induced protein 78C Peroxisome proliferator-activated receptor alpha   468 aa 409 aa 30.8 %
Loa Loa (eye worm) hypothetical protein Peroxisome proliferator-activated receptor alpha   468 aa 376 aa 27.9 %
Brugia malayi Steroid receptor seven-up type 2 Peroxisome proliferator-activated receptor alpha   468 aa 381 aa 24.1 %
Schistosoma mansoni retinoic acid receptor RXR Peroxisome proliferator-activated receptor alpha   468 aa 398 aa 28.4 %
Echinococcus granulosus ecdysone induced protein 78C Peroxisome proliferator-activated receptor alpha   468 aa 409 aa 30.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cpg binding protein 0.0063 0.038 0.1212
Trichomonas vaginalis heat shock protein, putative 0.0048 0.0267 0.1536
Onchocerca volvulus 0.0333 0.2301 0.229
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0014 0.0047
Trypanosoma brucei phospholipase A1, putative 0.0333 0.2301 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5911
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0063 0.0202
Trypanosoma cruzi lanosterol synthase, putative 0.0193 0.1305 0.5642
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0187 0.0582
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0109 0.0404
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0109 0.0475
Entamoeba histolytica peptidase, C54 family 0.0046 0.0259 0.1033
Entamoeba histolytica hypothetical protein 0.0036 0.0187 0.0727
Trypanosoma cruzi heat shock protein 85, putative 0.0041 0.0218 0.0881
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0268 0.0875
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.015 0.0461
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0032 0.0153 0.0139
Schistosoma mansoni vesicular acetylcholine transporter 0.044 0.3068 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0014 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0014 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0128 0.084 0.2737
Brugia malayi hypothetical protein 0.0026 0.0109 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0032 0.0153 0.0472
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Leishmania major hypothetical protein, conserved 0.0026 0.0109 0.0404
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0014 0.0018
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0014 0.0018
Trichomonas vaginalis helicase, putative 0.0014 0.0024 0.0045
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0221 0.072
Brugia malayi hypothetical protein 0.0016 0.0045 0.0146
Schistosoma mansoni endoplasmin 0.0048 0.0267 0.0871
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0119 0.0777 0.4663
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0017 0.0073
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0014 0.0047
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.044 0.3068 0.3058
Loa Loa (eye worm) hypothetical protein 0.0032 0.0152 0.0138
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0063 0.0049
Plasmodium vivax heat shock protein 90, putative 0.0032 0.0153 0.1068
Schistosoma mansoni heat shock protein 0.0032 0.0153 0.0499
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0119 0.0777 0.4663
Trypanosoma cruzi Heat shock protein 83, putative 0.0048 0.0267 0.1096
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0042 0.0107
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0024 0.0045
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0152 0.0495
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.084 0.0827
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0152 0.0659
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0116 0.0102
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.015 0.1232
Toxoplasma gondii histone lysine methyltransferase SET1 0.0115 0.0746 0.6137
Brugia malayi hypothetical protein 0.0036 0.0187 0.061
Toxoplasma gondii heat shock protein 75, putative 0.0032 0.0153 0.126
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0119 0.0777 0.4663
Toxoplasma gondii heat shock protein HSP90 0.0048 0.0267 0.2198
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Schistosoma mansoni cpg binding protein 0.0063 0.038 0.1238
Onchocerca volvulus 0.0048 0.0266 0.0252
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0152 0.0468
Loa Loa (eye worm) CXXC zinc finger family protein 0.006 0.0355 0.0341
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5911
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0125 0.0663
Loa Loa (eye worm) hypothetical protein 0.0103 0.0664 0.0651
Entamoeba histolytica hypothetical protein 0.0097 0.0618 0.2571
Loa Loa (eye worm) hypothetical protein 0.0026 0.0109 0.0095
Loa Loa (eye worm) RNA binding protein 0.0128 0.084 0.0827
Brugia malayi RNA binding protein 0.0128 0.084 0.2737
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0267 0.1096
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0014 0.0018
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0105 0.0675 0.2932
Trypanosoma cruzi phospholipase A1, putative 0.0333 0.2301 1
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0152 0.1248
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0014 0.0018
Schistosoma mansoni cpg binding protein 0.0063 0.038 0.1238
Loa Loa (eye worm) heat shock protein 75 0.0032 0.0153 0.0139
Schistosoma mansoni tar DNA-binding protein 0.0128 0.084 0.2737
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0063 0.0311
Trypanosoma brucei heat shock protein 84, putative 0.0032 0.0153 0.0666
Brugia malayi CXXC zinc finger family protein 0.006 0.0355 0.1158
Leishmania major lanosterol synthase, putative 0.0193 0.1305 0.5642
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0119 0.0777 0.2532
Giardia lamblia Heat shock protein HSP 90-alpha 0.0048 0.0267 0.0891
Schistosoma mansoni endoplasmin 0.0048 0.0267 0.0871
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0152 0.059
Schistosoma mansoni cpg binding protein 0.006 0.0355 0.1158
Plasmodium falciparum cysteine protease ATG4, putative 0.0046 0.0259 0.1954
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Schistosoma mansoni tar DNA-binding protein 0.0128 0.084 0.2737
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.034 0.2356 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0042 0.0107
Schistosoma mansoni hypothetical protein 0.0048 0.0266 0.0868
Echinococcus granulosus heat shock protein 90 0.0041 0.0218 0.0684
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0014 0.0018
Entamoeba histolytica hypothetical protein 0.0036 0.0187 0.0727
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0109 0.0699
Entamoeba histolytica peptidase, C54 family 0.0119 0.0777 0.3249
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Loa Loa (eye worm) TAR-binding protein 0.0128 0.084 0.0827
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0075 0.0408
Plasmodium vivax heat shock protein 86, putative 0.0048 0.0267 0.2027
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0119 0.0777 0.3327
Echinococcus multilocularis endoplasmin 0.0045 0.0246 0.0776
Brugia malayi TAR-binding protein 0.0128 0.084 0.2737
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0063 0.0283
Toxoplasma gondii heat shock protein 90, putative 0.0048 0.0267 0.2198
Leishmania major sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5881
Loa Loa (eye worm) hypothetical protein 0.0098 0.0626 0.0612
Brugia malayi Phospholipase A2 family protein 0.037 0.2566 0.8366
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0014 0.0018
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0014 0.0018
Giardia lamblia Grp94/Hsp90 0.0045 0.0246 0.0799
Onchocerca volvulus 0.0333 0.2301 0.229
Echinococcus granulosus bloom syndrome protein 0.0024 0.0095 0.0281
Echinococcus granulosus geminin 0.0342 0.2368 0.7713
Schistosoma mansoni heat shock protein 0.0048 0.0267 0.0871
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0237 0.0745
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0014 0.0018
Mycobacterium ulcerans heat shock protein 90 0.0045 0.0246 1
Treponema pallidum heat shock protein 90 0.0045 0.0246 1
Toxoplasma gondii autophagy-related cysteine peptidase atg4, putative 0.0046 0.0259 0.2127
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0119 0.0777 0.4663
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0014 0.0047
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Trypanosoma cruzi cysteine peptidase, Clan CA, family C54, putative 0.0046 0.0259 0.1058
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0068 0.0192
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0014 0.0018
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0063 0.0283
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0014 0.0047
Echinococcus multilocularis cysteine protease atg4b 0.0119 0.0777 0.2511
Onchocerca volvulus 0.0241 0.1647 0.1635
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0187 0.061
Trypanosoma cruzi lanosterol synthase, putative 0.0193 0.1305 0.5642
Echinococcus multilocularis heat shock protein 0.0048 0.0267 0.0845
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0152 0.1056
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0063 0.0197
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.1439 0.1427
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0128 0.0843 0.2748
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0014 0.0047
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0063 0.0274
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0095 0.031
Loa Loa (eye worm) hypothetical protein 0.0014 0.0024 0.001
Brugia malayi ecdysteroid receptor 0.0012 0.0014 0.0047
Loa Loa (eye worm) hypothetical protein 0.0053 0.0309 0.0295
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0152 0.0496
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0063 0.0311
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0024 0.0045
Trypanosoma cruzi phospholipase A1, putative 0.0333 0.2301 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.044 0.3068 1
Entamoeba histolytica peptidase, C54 family 0.0046 0.0259 0.1033
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0246 0.1408
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0153 0.1016 0.4373
Schistosoma mansoni hypothetical protein 0.0048 0.0268 0.0875
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0119 0.0777 0.3327
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0267 0.1096
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0268 0.0848
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0014 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0128 0.084 0.2737
Brugia malayi nuclear hormone receptor 0.0012 0.0014 0.0047
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Trypanosoma brucei cysteine peptidase, Clan CA, family C54, putative 0.0046 0.0259 0.1124
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0267 0.1096
Toxoplasma gondii exonuclease III APE 0.0019 0.0063 0.0519
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0095 0.0479
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0014 0.0047
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0152 0.1248
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0152 0.0467
Echinococcus multilocularis heat shock protein 90 0.0048 0.0267 0.0845
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.007 0.0231
Echinococcus granulosus cysteine protease atg4b 0.0119 0.0777 0.2511
Brugia malayi Bromodomain containing protein 0.0031 0.015 0.0488
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0063 0.0206
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0656 0.2115
Plasmodium falciparum heat shock protein 90, putative 0.0181 0.1216 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.015 0.1232
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0063 0.0202
Entamoeba histolytica peptidase, C54 family 0.0046 0.0259 0.1033
Loa Loa (eye worm) hypothetical protein 0.0118 0.0771 0.0758
Loa Loa (eye worm) heat shock protein 90 0.0048 0.0267 0.0253
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Schistosoma mansoni hypothetical protein 0.0031 0.015 0.0488
Trypanosoma cruzi heat shock protein 90, putative 0.0041 0.0218 0.0881
Schistosoma mansoni hypothetical protein 0.0342 0.2368 0.772
Echinococcus multilocularis geminin 0.0342 0.2368 0.7713
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0024 0.0045
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0024 0.0045
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0014 0.0047
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0014 0.0047
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0014 0.0018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.1005 0.0992
Loa Loa (eye worm) hypothetical protein 0.0031 0.015 0.0136
Schistosoma mansoni survival motor neuron protein 0.0048 0.0266 0.0868
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5881
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0014 0.0018
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0041 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0268 0.0848
Trypanosoma brucei Sterol methyltransferase, putative 0.0201 0.136 0.5911
Loa Loa (eye worm) hypothetical protein 0.0048 0.0268 0.0254
Onchocerca volvulus 0.0032 0.0152 0.0138
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0014 0.0047
Echinococcus multilocularis tar DNA binding protein 0.0128 0.084 0.2716
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0014 0.0018
Trypanosoma brucei lanosterol synthase 0.0193 0.1305 0.5673
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0174 0.0964
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.1589 0.5167
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0014 0.0047
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.1005 0.3277
Brugia malayi isocitrate dehydrogenase 0.0031 0.0152 0.0495
Trypanosoma brucei Heat shock protein 83, putative 0.0048 0.0267 0.1161
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5881
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0387 0.0373
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0152 0.1056
Loa Loa (eye worm) hypothetical protein 0.037 0.2566 0.2556
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0221 0.0207
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0152 0.0138
Entamoeba histolytica heat shock protein 90, putative 0.0048 0.0267 0.107
Trichomonas vaginalis heat shock protein, putative 0.0041 0.0218 0.1235
Echinococcus granulosus vesicular acetylcholine transporter 0.044 0.3068 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0109 0.0699
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0119 0.0777 0.2532
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0422 0.2941 0.9588
Schistosoma mansoni hypothetical protein 0.0048 0.0268 0.0875
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0045 0.0246 0.1005
Onchocerca volvulus Phospholipase A2 homolog 0.037 0.2566 0.2556
Echinococcus granulosus tar DNA binding protein 0.0128 0.084 0.2716
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0045 0.0246 1
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0046 0.0259 0.1058
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0098 0.0626 0.2039
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0187 0.0582
Echinococcus multilocularis GPCR, family 2 0.0048 0.0268 0.0848
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0152 0.059
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Schistosoma mansoni tar DNA-binding protein 0.0128 0.084 0.2737
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Loa Loa (eye worm) hypothetical protein 0.0119 0.0777 0.0764
Brugia malayi jmjC domain containing protein 0.0102 0.0656 0.2138
Giardia lamblia DNA repair protein RAD52 0.034 0.2356 1
Trypanosoma brucei heat shock protein 90, putative 0.0048 0.0267 0.1161
Entamoeba histolytica hypothetical protein 0.0036 0.0187 0.0727
Schistosoma mansoni ap endonuclease 0.0019 0.0063 0.0206
Brugia malayi hypothetical protein 0.0233 0.1589 0.5181
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0506 0.165
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0014 0.0047
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0152 0.1251
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0152 0.0496
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0119 0.0777 0.3376
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0268 0.0254
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0014 0.0047
Brugia malayi Pre-SET motif family protein 0.0032 0.0152 0.0496
Brugia malayi steroid hormone receptor 0.0012 0.0014 0.0047
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.084 0.2737
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0032 0.0153 0.0583
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0014 0.0047
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0014 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0014 0.0047
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.1589 0.5167
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0042 0.0107
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0109 0.0699
Trypanosoma cruzi heat shock protein 90, putative 0.0048 0.0267 0.1096
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0237 0.0745
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Entamoeba histolytica heat shock protein 90, putative 0.0048 0.0267 0.107
Echinococcus multilocularis dnaJ subfamily B 0.0414 0.288 0.9386
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0152 0.0659
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0014 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0014 0.0047
Leishmania major heat shock protein, putative 0.0032 0.0153 0.0597
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0041 0.0218 0.0684
Plasmodium falciparum heat shock protein 90 0.0048 0.0267 0.2027
Plasmodium vivax heat shock protein, putative 0.0181 0.1216 1
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0153 0.1016 0.4373
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.0333 0.2301 0.75
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0045 0.0246 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.0063 0.0206
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0024 0.0045
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0068 0.0192
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0014 0.0047
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0664 0.2165
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.015 0.0488
Schistosoma mansoni coup transcription factor 0.0012 0.0014 0.0047
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0014 0.0047
Plasmodium vivax endoplasmin, putative 0.0048 0.0267 0.2027
Brugia malayi Endoplasmin precursor 0.0048 0.0267 0.0871
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0268 0.0875
Entamoeba histolytica hypothetical protein 0.0036 0.0187 0.0727
Onchocerca volvulus 0.006 0.0355 0.0341
Schistosoma mansoni hypothetical protein 0.0048 0.0268 0.0875
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0014 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0014 0.0047
Echinococcus multilocularis Peptidase C54 0.0119 0.0777 0.2511
Echinococcus granulosus heat shock protein 90 0.0048 0.0267 0.0845
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0095 0.0281
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0109 0.0404
Schistosoma mansoni hypothetical protein 0.0048 0.0268 0.0875
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0152 0.0467
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0014 0.0018
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0014 0.0047
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0109 0.0899
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0032 0.0153 0.0472
Brugia malayi Hsp90 protein 0.0032 0.0153 0.0499
Trypanosoma brucei heat shock protein 90, putative 0.0048 0.0267 0.1161
Echinococcus multilocularis cpg binding protein 0.0063 0.038 0.1212
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.015 0.0136
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Echinococcus granulosus Peptidase C54 0.0119 0.0777 0.2511
Brugia malayi Peptidase family C54 containing protein 0.0119 0.0777 0.2532
Entamoeba histolytica peptidase, C54 family 0.0046 0.0259 0.1033
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.006 0.0195
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0045 0.0246 0.2349
Brugia malayi PHD-finger family protein 0.0031 0.015 0.0488
Loa Loa (eye worm) endoplasmin 0.0048 0.0267 0.0253
Schistosoma mansoni hypothetical protein 0.0342 0.2368 0.772
Schistosoma mansoni hypothetical protein 0.0011 0.0009 0.0029
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0268 0.0848
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0152 0.0467
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Schistosoma mansoni heat shock protein 0.0048 0.0267 0.0871
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0095 0.0479
Brugia malayi heat shock protein 90 0.0048 0.0267 0.0871
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0246 0.1408
Giardia lamblia Heat shock protein HSP 90-alpha 0.0041 0.0218 0.0676
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0221 0.072
Plasmodium vivax SET domain protein, putative 0.0032 0.0152 0.1059
Loa Loa (eye worm) hypothetical protein 0.0233 0.1589 0.1577
Loa Loa (eye worm) histone methyltransferase 0.002 0.0068 0.0053
Schistosoma mansoni hypothetical protein 0.0036 0.0187 0.061
Brugia malayi PHD-finger family protein 0.0014 0.0024 0.008
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0023 0.0048
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0024 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Trypanosoma brucei heat shock protein, putative 0.0048 0.0267 0.1161
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0152 0.0496
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0197 0.0614
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Brugia malayi nuclear receptor NHR-88 0.0012 0.0014 0.0047
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0221 0.0693
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0266 0.0868
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0152 0.0467
Plasmodium falciparum phd finger protein, putative 0.0031 0.015 0.104
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0014 0.0047
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0119 0.0777 0.4663
Echinococcus multilocularis heat shock protein 90 0.0041 0.0218 0.0684
Onchocerca volvulus Phospholipase A2 homolog 0.1412 1 1
Echinococcus granulosus heat shock protein 0.0048 0.0267 0.0845
Schistosoma mansoni autophagin-1 (C54 family) 0.0119 0.0777 0.2532
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0152 0.0468
Trichomonas vaginalis endoplasmin, putative 0.0035 0.0174 0.0964
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0268 0.0848
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0152 0.0495
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0152 0.1136
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0039 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0014 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0014 0.0047
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0063 0.0202
Brugia malayi Cytochrome P450 family protein 0.0026 0.0116 0.0379
Trypanosoma cruzi heat shock protein, putative 0.0032 0.0153 0.0597
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0024 0.0045
Schistosoma mansoni hypothetical protein 0.0414 0.288 0.9388
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.1005 0.3277
Toxoplasma gondii Hsp90 domain-containing protein 0.0181 0.1216 1
Echinococcus multilocularis peregrin 0.0031 0.015 0.0461
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0042 0.0107
Brugia malayi Pre-SET motif family protein 0.0212 0.1439 0.4691
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0014 0.0047
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0014 0.0018
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0152 0.059
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0152 0.0467
Loa Loa (eye worm) hypothetical protein 0.0151 0.1005 0.0992
Leishmania major heat shock protein 83-1 0.0048 0.0267 0.1096
Echinococcus granulosus peregrin 0.0031 0.015 0.0461
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.015 0.0461
Echinococcus granulosus dnaJ subfamily B 0.0414 0.288 0.9386
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0014 0.0047
Echinococcus granulosus endoplasmin 0.0045 0.0246 0.0776
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0026 0.0114 0.0372
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0024 0.0045
Giardia lamblia PHD finger protein 15 0.0031 0.015 0.0378
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0152 0.0468
Trichomonas vaginalis set domain proteins, putative 0.0241 0.1647 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0063 0.0177
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0152 0.0467
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.044 0.3068 0.3058
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0024 0.0045
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0046 0.0259 0.1058
Brugia malayi jmjC domain containing protein 0.0041 0.0221 0.072
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0135 0.0412
Echinococcus granulosus GPCR family 2 0.0048 0.0268 0.0848
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0128 0.0843 1
Onchocerca volvulus 0.0333 0.2301 0.229
Plasmodium falciparum endoplasmin, putative 0.0035 0.0174 0.1243
Plasmodium falciparum heat shock protein 90, putative 0.0028 0.0125 0.0831
Leishmania major phospholipase A1, putative 0.0333 0.2301 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0014 0.0047
Plasmodium vivax hypothetical protein, conserved 0.0031 0.015 0.104
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0014 0.0018
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0333 0.2301 0.229
Leishmania major sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5881
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0023 0.0048
Schistosoma mansoni hypothetical protein 0.0103 0.0664 0.2165
Onchocerca volvulus Alhambra homolog 0.0031 0.015 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0152 0.0496
Echinococcus multilocularis vesicular acetylcholine transporter 0.044 0.3068 1
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.0618 0.2571
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0656 0.2115
Loa Loa (eye worm) RecQ helicase 0.0024 0.0095 0.0081
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0201 0.136 0.5881
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0063 0.0177
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0139 0.0452

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.34 uM Agonist activity at rat PPARalpha in rat H4IIE cells assesed as gene induction ChEMBL. 18029176
EC50 (functional) = 2.34 uM Agonist activity at rat PPARalpha in rat H4IIE cells assesed as gene induction ChEMBL. 18029176

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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