Detailed information for compound 1050718

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.494 | Formula: C21H26O4S
  • H donors: 1 H acceptors: 2 LogP: 5.85 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(C(=O)O)Sc1ccc(cc1)OCCCOc1ccccc1
  • InChi: 1S/C21H26O4S/c1-2-3-10-20(21(22)23)26-19-13-11-18(12-14-19)25-16-7-15-24-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,2-3,7,10,15-16H2,1H3,(H,22,23)
  • InChiKey: MHFJMHMWBKXGQA-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
Homo sapiens prostaglandin E synthase Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member Get druggable targets OG5_131112 All targets in OG5_131112
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00799 glutathione S-transferase [EC2.5.1.18], putative Get druggable targets OG5_131112 All targets in OG5_131112
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum ko:K00799 glutathione S-transferase [EC2.5.1.18], putative Get druggable targets OG5_131112 All targets in OG5_131112
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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 397 aa 25.4 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0682 0.2884
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0186 0.064
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0025 0.021 0.0417
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0168 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0647
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0682 0.2827
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0144 0.0358
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0168 0.0162
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclin G2 0.002 0.0117 0.0409
Schistosoma mansoni cyclin B 0.0149 0.2352 0.2347
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Trichomonas vaginalis cyclin B, putative 0.002 0.0117 0.0474
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0186 0.065
Entamoeba histolytica cyclin C, putative 0.002 0.0117 0.0474
Entamoeba histolytica protein kinase, putative 0.0035 0.0387 0.1624
Trichomonas vaginalis cyclins, putative 0.0149 0.2352 1
Trichomonas vaginalis cyclin B, putative 0.0149 0.2352 1
Schistosoma mansoni hypothetical protein 0.0027 0.0249 0.0244
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0168 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclin B 0.0149 0.2352 0.821
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.055 0.1939
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0144 0.0611
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.055 0.1427
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.055 0.1427
Echinococcus multilocularis cyclin G2 0.002 0.0117 0.0409
Entamoeba histolytica cyclin, domain containing protein 0.002 0.0117 0.0474
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0013 0.0006 0.0015
Brugia malayi p70 ribosomal S6 kinase beta 0.0033 0.0352 0.0899
Onchocerca volvulus Cyclin L homolog 0.002 0.0117 0.0498
Echinococcus multilocularis protein kinase c iota type 0.0013 0.0006 0.0021
Onchocerca volvulus 0.0149 0.2352 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0149 0.2352 1
Onchocerca volvulus 0.0027 0.0249 0.1061
Brugia malayi Cyclin C 0.002 0.0117 0.0289
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0186 0.065
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0082 0.1198 0.4182
Echinococcus granulosus nervana 2 0.002 0.012 0.0418
Trypanosoma brucei rac serine-threonine kinase, putative 0.0035 0.0387 0.1207
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0682 0.253
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0045 0.055 0.1939
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0082 0.1198 0.4182
Onchocerca volvulus 0.0021 0.0144 0.0611
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0144 0.0138
Trichomonas vaginalis cyclin D, putative 0.0082 0.1198 0.5082
Trichomonas vaginalis cyclin B3, putative 0.0082 0.1198 0.5082
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0013 0.0006 0.0015
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Echinococcus granulosus cyclin B 0.0149 0.2352 0.821
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Echinococcus granulosus protein kinase c epsilon type 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclin 0.002 0.0117 0.0409
Brugia malayi hypothetical protein 0.002 0.0117 0.0289
Loa Loa (eye worm) hypothetical protein 0.0024 0.0186 0.0483
Schistosoma mansoni tyrosine kinase 0.0102 0.1549 0.1544
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0144 0.0138
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0144 0.0358
Entamoeba histolytica protein kinase, putative 0.0035 0.0387 0.1624
Loa Loa (eye worm) hypothetical protein 0.0116 0.1784 0.4626
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0144 0.0358
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Trichomonas vaginalis cyclins, putative 0.0149 0.2352 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0186 0.065
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0144 0.0502
Loa Loa (eye worm) hypothetical protein 0.0017 0.0065 0.0169
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0041 0.0476 0.1608
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0116 0.1784 0.746
Brugia malayi Doublecortin family protein 0.0024 0.0186 0.0468
Plasmodium falciparum glycogen synthase kinase 3 0.005 0.0633 0.4777
Echinococcus granulosus cyclin G2 0.002 0.0117 0.0409
Loa Loa (eye worm) hypothetical protein 0.0023 0.0168 0.0434
Loa Loa (eye worm) AGC/PKN protein kinase 0.0013 0.0006 0.0015
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.005 0.0633 0.231
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0117 0.0304
Echinococcus multilocularis cyclin b3 0.0082 0.1198 0.4182
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0682 0.0677
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0144 0.0138
Schistosoma mansoni cyclin l 0.002 0.0117 0.0111
Echinococcus granulosus protein kinase shaggy 0.005 0.0633 0.2211
Schistosoma mansoni cyclins 0.0082 0.1198 0.1193
Trichomonas vaginalis cyclin A, putative 0.0149 0.2352 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0168 0.5
Brugia malayi cell division control protein 2 homolog 0.0045 0.055 0.1414
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0014 0.001 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0144 0.0358
Echinococcus granulosus NDR protein kinase 0.0013 0.0006 0.0021
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0144 0.0502
Loa Loa (eye worm) hypothetical protein 0.0024 0.0186 0.0483
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0144 0.0373
Trichomonas vaginalis cyclin B3, putative 0.002 0.0117 0.0474
Entamoeba histolytica cyclin family protein 0.0082 0.1198 0.5082
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Loa Loa (eye worm) hypothetical protein 0.002 0.0117 0.0304
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.1198 0.5082
Brugia malayi nuclear receptor NHR-88 0.0021 0.0144 0.0358
Schistosoma mansoni rab6-interacting 0.0024 0.0186 0.0181
Loa Loa (eye worm) hypothetical protein 0.002 0.0117 0.0304
Brugia malayi plexin A 0.002 0.0119 0.0293
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0682 0.253
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0013 0.0006 0.0021
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0168 0.0466
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.055 0.0545
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0144 0.0358
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0144 0.0373
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0178 0.2864 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.005 0.0633 0.0628
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0102 0.1549 0.5407
Echinococcus granulosus Protein kinase C brain isozyme 0.0013 0.0006 0.0021
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0023 0.0176 0.0261
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0117 0.0474
Brugia malayi hypothetical protein 0.002 0.0117 0.0289
Schistosoma mansoni cyclin G 0.002 0.0117 0.0111
Loa Loa (eye worm) TK/ALK protein kinase 0.0235 0.3857 1
Loa Loa (eye worm) cyclin C 0.002 0.0117 0.0304
Echinococcus granulosus cyclins 0.002 0.0117 0.0409
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0023 0.0176 0.0613
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.055 0.2322
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0119 0.0482
Echinococcus multilocularis MAM 0.0027 0.0249 0.0871
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0102 0.1549 0.5407
Brugia malayi nuclear hormone receptor 0.0021 0.0144 0.0358
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0144 0.0373
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0144 0.0358
Trypanosoma brucei mitotic cyclin 6 0.0149 0.2352 1
Echinococcus granulosus cyclin dependent kinase 5 0.0045 0.055 0.1922
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0023 0.0176 0.0613
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.021 0.0871
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0045 0.055 0.2167
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0013 0.0006 0.0015
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0108 0.5
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.002 0.0117 0.0111
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0178 0.2864 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0045 0.055 0.1922
Entamoeba histolytica protein kinase domain containing protein 0.005 0.0633 0.2675
Echinococcus granulosus glycogen synthase kinase 3 beta 0.005 0.0633 0.2211
Echinococcus multilocularis cyclin dependent kinase 0.0045 0.055 0.1922
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.055 0.1939
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0116 0.1784 0.6229
Onchocerca volvulus 0.005 0.0633 0.2693
Echinococcus granulosus fibroblast growth factor receptor 4 0.0102 0.1549 0.5407
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0144 0.0502
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0144 0.0502
Entamoeba histolytica protein kinase, putative 0.0033 0.0352 0.1477
Giardia lamblia Hypothetical protein 0.0082 0.1198 0.4837
Onchocerca volvulus 0.0017 0.0065 0.0277
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0144 0.0373
Brugia malayi cyclin fold protein 1 variant b 0.002 0.0117 0.0289
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0013 0.0006 0.0021
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0168 0.5
Trypanosoma brucei protein kinase, putative 0.0052 0.0682 0.253
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0168 0.0585
Leishmania major developmentally regulated phosphoprotein-like protein 0.0116 0.1784 0.746
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0047 0.0588 0.2355
Trichomonas vaginalis cyclin B3, putative 0.002 0.0117 0.0474
Brugia malayi Cyclin, N-terminal domain containing protein 0.0149 0.2352 0.6089
Schistosoma mansoni tyrosine kinase 0.0017 0.0064 0.0058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0144 0.0138
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0033 0.0352 0.0913
Schistosoma mansoni loxhd1 0.0024 0.0186 0.0181
Echinococcus multilocularis cyclin y 0.002 0.0117 0.0409
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0144 0.0358
Trypanosoma cruzi CYC2-like cyclin, putative 0.0149 0.2352 1
Giardia lamblia Kinase, CMGC CDK 0.0045 0.055 0.1939
Echinococcus granulosus serine threonine protein kinase nrc 0.0023 0.0176 0.0613
Trichomonas vaginalis cyclin D, putative 0.0082 0.1198 0.5082
Loa Loa (eye worm) AGC/AKT protein kinase 0.0035 0.0387 0.1003
Trichomonas vaginalis cyclin B, putative 0.0149 0.2352 1
Plasmodium falciparum cyclin 0.0082 0.1198 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0041 0.0476 0.1608
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.005 0.0633 0.231
Echinococcus multilocularis RUN 0.0024 0.0186 0.065
Brugia malayi MAP kinase sur-1 0.0052 0.0682 0.1756
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0144 0.0502
Echinococcus granulosus MAM 0.0027 0.0249 0.0871
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Loa Loa (eye worm) hypothetical protein 0.0149 0.2352 0.6097
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.055 0.0545
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0117 0.0474
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.1666 0.4309
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.0633 0.1642
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0023 0.0176 0.0541
Schistosoma mansoni pyruvate dehydrogenase 0.0109 0.1672 0.1667
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0168 0.0976
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.055 0.2322
Trichomonas vaginalis cyclins, putative 0.002 0.0117 0.0474
Brugia malayi Plexin repeat family protein 0.0017 0.0065 0.0154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0144 0.0373
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0427 0.7174 0.7173
Trypanosoma cruzi Protein kinase B 0.0025 0.021 0.0417
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0144 0.0502
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0168 0.042
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0682 0.1769
Brugia malayi steroid hormone receptor 0.0021 0.0144 0.0358
Echinococcus multilocularis G1:S specific cyclin D1 0.002 0.0117 0.0409
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.005 0.0633 0.2211
Giardia lamblia Kinase, CMGC GSK 0.005 0.0633 0.231
Trypanosoma cruzi cyclin, putative 0.0149 0.2352 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0013 0.0006 0.0015
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.002 0.012 0.0418
Onchocerca volvulus Protein CNPPD1 homolog 0.002 0.0117 0.0498
Echinococcus granulosus cyclin A3 4 0.002 0.0117 0.0409
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.021 0.0204
Echinococcus multilocularis cyclin A3 4 0.002 0.0117 0.0409
Schistosoma mansoni pyruvate dehydrogenase 0.0109 0.1672 0.1667
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.2243 0.7832
Echinococcus granulosus cyclin t1 0.002 0.0117 0.0409
Echinococcus granulosus cyclin B3 1 0.0082 0.1198 0.4182
Loa Loa (eye worm) hypothetical protein 0.0042 0.0495 0.1282
Toxoplasma gondii hypothetical protein 0.0062 0.0854 0.3685
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.002 0.012 0.0418
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Echinococcus granulosus cyclin G2 0.002 0.0117 0.0409
Loa Loa (eye worm) hypothetical protein 0.0149 0.2352 0.6097
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0168 0.0689
Schistosoma mansoni polycystin 1-related 0.0024 0.0186 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0144 0.0358
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0144 0.0138
Brugia malayi Protein kinase domain containing protein 0.0045 0.055 0.1414
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.2243 0.7832
Schistosoma mansoni pyruvate dehydrogenase 0.0116 0.1784 0.1779
Schistosoma mansoni hypothetical protein 0.002 0.0117 0.0111
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0144 0.0502
Trypanosoma cruzi cyclin 6, putative 0.0149 0.2352 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.005 0.0633 0.2581
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.055 0.1939
Brugia malayi kinase, mitochondrial precursor 0.0116 0.1784 0.4616
Entamoeba histolytica protein kinase domain containing protein 0.005 0.0633 0.2675
Echinococcus granulosus cyclins 0.0082 0.1198 0.4182
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0144 0.0502
Entamoeba histolytica hypothetical protein 0.002 0.0117 0.0474
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0647
Echinococcus granulosus oligomeric golgi complex subunit 3 0.002 0.0117 0.0409
Entamoeba histolytica cyclin, putative 0.0149 0.2352 1
Echinococcus multilocularis Cyclin L1 0.002 0.0117 0.0409
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0108 0.5
Entamoeba histolytica cyclin, putative 0.0082 0.1198 0.5082
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0168 0.0252
Entamoeba histolytica hypothetical protein 0.0023 0.0168 0.0689
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0117 0.0474
Schistosoma mansoni cyclin d 0.002 0.0117 0.0111
Trypanosoma cruzi cyclin, putative 0.0149 0.2352 1
Onchocerca volvulus 0.0024 0.0186 0.0792
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0144 0.0502
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0117 0.0304
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0015
Brugia malayi map kinase activated protein kinase protein 2 0.0178 0.2864 0.742
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0186 0.0483
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.002 0.0117 0.0409
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0144 0.0358
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0013 0.0006 0.0021
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0144 0.0502
Brugia malayi Cyclin, N-terminal domain containing protein 0.0149 0.2352 0.6089
Trypanosoma brucei cdc2-related kinase 3 0.0045 0.055 0.1939
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0023 0.0176 0.1132
Echinococcus multilocularis cyclin k 0.002 0.0117 0.0409
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0682 0.253
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0013 0.0006 0.0021
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.0633 0.1642
Loa Loa (eye worm) AGC/NDR protein kinase 0.0013 0.0006 0.0015
Echinococcus granulosus cyclin dependent kinase 0.0045 0.055 0.1922
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Loa Loa (eye worm) cyclin domain-containing protein 0.0082 0.1198 0.3106
Toxoplasma gondii AGC kinase 0.0033 0.0352 0.1176
Loa Loa (eye worm) CYL-1 protein 0.002 0.0117 0.0304
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0144 0.0502
Trichomonas vaginalis cyclins, putative 0.0082 0.1198 0.5082
Brugia malayi Protein kinase domain containing protein 0.0035 0.0387 0.0989
Echinococcus multilocularis serine threonine protein kinase 0.0013 0.0006 0.0021
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Echinococcus granulosus nervana 2 0.002 0.012 0.0418
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0682 0.2884
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Schistosoma mansoni coup transcription factor 0.0021 0.0144 0.0138
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0178 0.2864 0.7426
Echinococcus granulosus serine:threonine protein kinase N2 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.055 0.1922
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Echinococcus granulosus RUN 0.0024 0.0186 0.065
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0117 0.0474
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0682 0.2382
Echinococcus granulosus serine/threonine protein kinase 0.0025 0.021 0.0734
Echinococcus multilocularis serine:threonine protein kinase 38 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclin y 0.002 0.0117 0.0409
Brugia malayi hypothetical protein 0.0027 0.0249 0.0632
Trichomonas vaginalis cyclin B, putative 0.002 0.0117 0.0474
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0144 0.0373
Entamoeba histolytica cyclin, domain containing protein 0.002 0.0117 0.0474
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0144 0.0138
Echinococcus multilocularis protein kinase c epsilon type 0.0013 0.0006 0.0021
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0186 0.065
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0144 0.0358
Giardia lamblia Kinase, CMGC CDK 0.0045 0.055 0.1939
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0144 0.0611
Echinococcus granulosus protein kinase C gamma type 0.0013 0.0006 0.0021
Leishmania major cyclin 0.0149 0.2352 1
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0168 0.0226
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0144 0.0138
Trichomonas vaginalis cyclin B, putative 0.0082 0.1198 0.5082
Giardia lamblia Kinase, CMGC GSK 0.005 0.0633 0.231
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0682 0.253
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0144 0.0138
Loa Loa (eye worm) plexin A 0.002 0.0119 0.0308
Brugia malayi hypothetical protein 0.0024 0.0186 0.0468
Echinococcus granulosus cyclin y 0.002 0.0117 0.0409
Echinococcus granulosus plexin a4 0.002 0.0119 0.0414
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0144 0.0138
Plasmodium falciparum protein kinase 5 0.0045 0.055 0.401
Echinococcus multilocularis nervana 2 0.002 0.012 0.0418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0144 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0144 0.0358
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0013 0.0006 0.0021
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0144 0.0138
Echinococcus granulosus cyclin dependent kinase 1 0.0045 0.055 0.1922
Trichomonas vaginalis cyclins, putative 0.0086 0.1271 0.5393
Entamoeba histolytica protein kinase 2, putative 0.0023 0.0176 0.0723
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0116 0.1784 0.6229
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0045 0.055 0.1939
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0144 0.0611
Brugia malayi Protein kinase domain containing protein 0.0236 0.3858 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.055 0.2322
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.002 0.0117 0.0304
Entamoeba histolytica protein kinase, putative 0.005 0.0633 0.2675
Echinococcus multilocularis serine:threonine protein kinase N2 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Echinococcus multilocularis serine:threonine protein kinase N2 0.0013 0.0006 0.0021
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0144 0.0373
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0144 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0144 0.0358
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.002 0.0117 0.0409
Trichomonas vaginalis cyclin A, putative 0.002 0.0117 0.0474
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0117 0.0304
Schistosoma mansoni hypothetical protein 0.002 0.0117 0.0111
Onchocerca volvulus Cyclin L homolog 0.002 0.0117 0.0498
Brugia malayi intracellular kinase 0.005 0.0633 0.1629
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0144 0.0358
Trichomonas vaginalis cyclins, putative 0.002 0.0117 0.0474
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0144 0.0138
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0186 0.065
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Schistosoma mansoni cyclin B3 0.0082 0.1198 0.1193
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0144 0.0502
Echinococcus granulosus G1:S specific cyclin D1 0.002 0.0117 0.0409
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0135 0.2117 0.7391
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0144 0.0502
Echinococcus multilocularis rac serine:threonine kinase 0.0025 0.021 0.0734
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0682 0.2884
Echinococcus granulosus cyclins 0.0082 0.1198 0.4182
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0682 0.2884
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0168 0.0226
Loa Loa (eye worm) hypothetical protein 0.0067 0.0927 0.2404
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0682 0.253
Schistosoma mansoni microsomal glutathione s-transferase 0.0135 0.2117 0.2112
Giardia lamblia G2/mitotic-specific cyclin B 0.0149 0.2352 1
Trichomonas vaginalis AGC family protein kinase 0.0015 0.0041 0.0148
Echinococcus granulosus cyclin 0.002 0.0117 0.0409
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0144 0.0502
Echinococcus granulosus cyclin b3 0.0082 0.1198 0.4182
Echinococcus multilocularis Glutaredoxin protein 5 0.002 0.012 0.0418
Schistosoma mansoni hypothetical protein 0.0027 0.0249 0.0244
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.055 0.2322
Trichomonas vaginalis cyclins, putative 0.0149 0.2352 1
Schistosoma mansoni cyclin G2 0.002 0.0117 0.0111
Entamoeba histolytica cyclin family protein 0.0082 0.1198 0.5082
Echinococcus multilocularis plexin a4 0.002 0.0119 0.0414
Trichomonas vaginalis cyclin B, putative 0.0149 0.2352 1
Echinococcus granulosus Cyclin L1 0.002 0.0117 0.0409
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.055 0.2322
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0045 0.055 0.1427
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0186 0.065
Onchocerca volvulus 0.002 0.0117 0.0498
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0633 0.2675
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0117 0.0304
Schistosoma mansoni serine/threonine protein kinase 0.0178 0.2864 0.286
Plasmodium vivax glycogen synthase kinase 3, putative 0.005 0.0633 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0102 0.1549 0.5407
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0682 0.253
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0144 0.0358
Plasmodium vivax protein kinase Crk2 0.0045 0.055 0.8394
Schistosoma mansoni cyclin k 0.002 0.0117 0.0111
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.055 0.1922
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.021 0.0871
Trypanosoma brucei developmentally regulated phosphoprotein 0.0116 0.1784 0.746
Brugia malayi hypothetical protein 0.0024 0.0186 0.0468
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0682 0.2382
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0682 0.253
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0633 0.2675
Echinococcus granulosus microsomal glutathione S transferase 3 0.0135 0.2117 0.7391
Trypanosoma brucei cdc2-related kinase 1 0.0045 0.055 0.1939
Onchocerca volvulus 0.0024 0.0186 0.0792
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0144 0.0502
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.002 0.0117 0.0409
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0682 0.2382
Schistosoma mansoni g1/s-specific cyclin C 0.002 0.0117 0.0111
Giardia lamblia Cyclin A 0.0082 0.1198 0.4837
Schistosoma mansoni lipoxygenase 0.0142 0.2243 0.2239
Echinococcus multilocularis nervana 2 0.002 0.012 0.0418
Trichomonas vaginalis cyclin D, putative 0.002 0.0117 0.0474
Echinococcus granulosus cyclins 0.0082 0.1198 0.4182
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0045 0.055 0.1922
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0682 0.2382
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0168 0.0585
Echinococcus multilocularis protein kinase shaggy 0.005 0.0633 0.2211
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0117 0.0304
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0647
Schistosoma mansoni rab6-interacting 0.0024 0.0186 0.0181
Schistosoma mansoni plexin 0.0017 0.0065 0.0059
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0144 0.0502
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0041 0.0476 0.1608
Echinococcus granulosus protein kinase c iota type 0.0013 0.0006 0.0021
Echinococcus multilocularis cyclin t1 0.002 0.0117 0.0409
Trichomonas vaginalis cyclins, putative 0.0149 0.2352 1
Onchocerca volvulus 0.0027 0.0249 0.1061
Trichomonas vaginalis cyclin B, putative 0.0149 0.2352 1
Brugia malayi ecdysteroid receptor 0.0021 0.0144 0.0358
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0168 0.0162
Echinococcus granulosus cyclins 0.0082 0.1198 0.4182
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0682 0.253
Toxoplasma gondii MAPEG family protein 0.0135 0.2117 1
Loa Loa (eye worm) TK protein kinase 0.0109 0.1666 0.4319
Trichomonas vaginalis AGC family protein kinase 0.0035 0.0387 0.1624
Brugia malayi Cyclin, N-terminal domain containing protein 0.0082 0.1198 0.3094
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0144 0.0358
Loa Loa (eye worm) hypothetical protein 0.0202 0.3271 0.8482
Schistosoma mansoni Cyclin fold protein 0.002 0.0117 0.0111
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0186 0.134
Echinococcus multilocularis cyclin B3 1 0.0082 0.1198 0.4182
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0117 0.0304
Echinococcus granulosus cyclin y 0.002 0.0117 0.0409
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0144 0.0138
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0041 0.0476 0.1796
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0144 0.0502
Echinococcus granulosus Glutaredoxin protein 5 0.002 0.012 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0144 0.0358
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0117 0.0289
Echinococcus multilocularis cyclins 0.0082 0.1198 0.4182
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0373
Giardia lamblia Kinase, AGC PKA 0.0023 0.0176 0.0261
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0168 0.0226
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.055 0.1939
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.021 0.0204
Trypanosoma brucei protein kinase, putative 0.005 0.0633 0.231
Echinococcus granulosus cyclins 0.0082 0.1198 0.4182
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0168 0.0226
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0116 0.1784 0.6229
Echinococcus granulosus cyclin k 0.002 0.0117 0.0409
Schistosoma mansoni hypothetical protein 0.0024 0.0186 0.0181
Schistosoma mansoni lipoxygenase 0.01 0.15 0.1495

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at human PPARbeta expressed in african green monkey COS7 cells at 10 uM by Gal4 transactivation assay ChEMBL. 19556125
Activity (binding) = 69.4 % Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as residual activity by measuring enzyme product formation using arachidonic acid as substrate at 10 uM after 10 mins by RP-HPLC analysis ChEMBL. 21570310
Activity (functional) = 76 % Agonist activity at human PPARalpha expressed in african green monkey COS7 cells at 1 uM by Gal4 transactivation assay relative to GW-7647 ChEMBL. 19556125
Activity (binding) = 81.9 % Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as residual activity by measuring reduction of PGE2 formation from PGH2 at 10 uM after 15 mins ChEMBL. 21570310
Activity (functional) = 83 % Agonist activity at human PPARgamma expressed in african green monkey COS7 cells at 1 uM by Gal4 transactivation assay relative to pioglitazone ChEMBL. 19556125
EC50 (functional) = 0.29 uM Agonist activity at human PPARalpha expressed in african green monkey COS7 cells by Gal4 transactivation assay ChEMBL. 19556125
EC50 (functional) = 2.6 uM Agonist activity at human PPARgamma expressed in african green monkey COS7 cells by Gal4 transactivation assay ChEMBL. 19556125
IC50 (binding) = 9.5 uM Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presence of exogenous arachidonic acid ChEMBL. 21570310
IC50 (binding) > 10 uM Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using arachidonic acid as substrate after 10 mins by RP-HPLC analysis ChEMBL. 21570310
IC50 (binding) > 10 uM Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins ChEMBL. 21570310

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

2 literature references were collected for this gene.

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