Detailed information for compound 1311011

Basic information

Technical information
  • TDR Targets ID: 1311011
  • Name: N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethy l]sulfanylindol-1-yl]ethyl]thiophene-2-carbox amide
  • MW: 443.582 | Formula: C22H25N3O3S2
  • H donors: 2 H acceptors: 2 LogP: 3.18 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1cn(c2c1cccc2)CCNC(=O)c1cccs1)NCC1CCCO1
  • InChi: 1S/C22H25N3O3S2/c26-21(24-13-16-5-3-11-28-16)15-30-20-14-25(18-7-2-1-6-17(18)20)10-9-23-22(27)19-8-4-12-29-19/h1-2,4,6-8,12,14,16H,3,5,9-11,13,15H2,(H,23,27)(H,24,26)
  • InChiKey: MTYFPMXVVIGDEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[3-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
  • N-[2-[3-[[2-oxo-2-(2-tetrahydrofuranylmethylamino)ethyl]thio]-1-indolyl]ethyl]-2-thiophenecarboxamide
  • N-[2-[3-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]indol-1-yl]ethyl]thiophene-2-carboxamide
  • MLS000101720
  • SMR000017514

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysteroid receptor 0.002 0.0087 0.0087
Schistosoma mansoni hypothetical protein 0.0529 1 1
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Schistosoma mansoni kinase 0.0049 0.0644 0.0644
Schistosoma mansoni hypothetical protein 0.0034 0.0357 0.0357
Giardia lamblia Kinase, CMGC CDK 0.0044 0.0547 0.0481
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0044 0.0547 0.0547
Echinococcus multilocularis cyclin dependent kinase 0.0044 0.0547 0.0547
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0087 0.0299
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0069 0.0402
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0089 0.1434 0.1434
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0001 0.0001
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.1552 0.5343
Mycobacterium leprae Conserved hypothetical protein 0.0529 1 0.5
Trichomonas vaginalis cyclins, putative 0.0103 0.1701 0.1644
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0087 0.0087
Schistosoma mansoni nuclear hormone receptor 0.002 0.0087 0.0087
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0103 0.1701 1
Echinococcus granulosus dna polymerase eta 0.0019 0.0069 0.0069
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Echinococcus granulosus cyclin dependent kinase 5 0.0044 0.0547 0.0547
Echinococcus multilocularis kinase protein 0.0089 0.1434 0.1434
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0087 0.0087
Trypanosoma brucei polo-like protein kinase 0.0095 0.1552 0.9119
Echinococcus granulosus cyclin B 0.0103 0.1701 0.1701
Trichomonas vaginalis cyclin B, putative 0.0103 0.1701 0.1644
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0087 0.0087
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0547 0.0481
Echinococcus granulosus cyclin dependent kinase 1 0.0044 0.0547 0.0547
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0087 0.0299
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0087 0.0087
Echinococcus multilocularis cyclin B3 1 0.0053 0.0732 0.0732
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0044 0.0547 0.2897
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1552 0.9119
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0087 0.0087
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0069 0.0069
Mycobacterium ulcerans transglutaminase family protein 0.0529 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0087 0.0299
Giardia lamblia Hypothetical protein 0.0529 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0732 0.0667
Trichomonas vaginalis cyclin A, putative 0.0103 0.1701 0.1644
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Brugia malayi nuclear hormone receptor 0.002 0.0087 0.0087
Leishmania major DNA polymerase eta, putative 0.0019 0.0069 0.0402
Echinococcus multilocularis cyclin B 0.0103 0.1701 0.1701
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0069 0.0069
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Trichomonas vaginalis cyclins, putative 0.0103 0.1701 0.1644
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Brugia malayi Protein kinase domain containing protein 0.0044 0.0547 0.0547
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0087 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0087 0.0087
Schistosoma mansoni thyroid hormone receptor 0.002 0.0087 0.0087
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0069 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Entamoeba histolytica cyclin, putative 0.0053 0.0732 0.406
Trypanosoma brucei cdc2-related kinase 3 0.0044 0.0547 0.321
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0547 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus granulosus cyclins 0.0053 0.0732 0.0732
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Trypanosoma cruzi cdc2-related kinase 1 0.0044 0.0547 0.321
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0087 0.0087
Leishmania major cyclin 0.0103 0.1701 1
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.062 0.0555
Brugia malayi Cyclin, N-terminal domain containing protein 0.0103 0.1701 0.1701
Loa Loa (eye worm) hypothetical protein 0.0043 0.0526 0.181
Trichomonas vaginalis cyclins, putative 0.0063 0.0913 0.085
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1552 0.1493
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 0.0547 0.1882
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trichomonas vaginalis cyclin B, putative 0.0103 0.1701 0.1644
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1552 0.1493
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0069 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0087 0.0087
Trypanosoma brucei mitotic cyclin 6 0.0103 0.1701 1
Echinococcus multilocularis kinase protein 0.0089 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0237
Brugia malayi Cyclin, N-terminal domain containing protein 0.0103 0.1701 0.1701
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0069 0.0402
Mycobacterium tuberculosis Conserved hypothetical protein 0.0529 1 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0089 0.1434 0.1434
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0087 0.0299
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0087 0.0087
Entamoeba histolytica cyclin family protein 0.0053 0.0732 0.406
Trypanosoma cruzi cdc2-related kinase 1 0.0044 0.0547 0.321
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0547 0.0481
Echinococcus granulosus cyclin B3 1 0.0053 0.0732 0.0732
Echinococcus granulosus cyclins 0.0053 0.0732 0.0732
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1552 0.1493
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0665 0.0665
Trypanosoma brucei cdc2-related kinase 1 0.0044 0.0547 0.321
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0069 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0087 0.0087
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1552 0.1552
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0113 0.1885 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0087 0.0087
Giardia lamblia Kinase, CMGC CDK 0.0044 0.0547 0.0481
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.062 0.0555
Mycobacterium tuberculosis Conserved hypothetical protein 0.0529 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1552 0.1493
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0357 0.0357
Entamoeba histolytica cyclin, putative 0.0103 0.1701 1
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0547 0.0481
Echinococcus granulosus FTZ F1 alpha 0.002 0.0087 0.0087
Onchocerca volvulus 0.0103 0.1701 0.1629
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0087 0.0087
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0069 0.0068
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0089 0.1434 0.1434
Echinococcus granulosus cyclin dependent kinase 0.0044 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Brugia malayi isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0069 0.0069
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 0.0547 0.0547
Plasmodium vivax protein kinase Crk2 0.0044 0.0547 0.2678
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0087 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0087 0.0087
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0087 0.0087
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.1552 0.9082
Trichomonas vaginalis cyclins, putative 0.0103 0.1701 0.1644
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.1231
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0087 0.0087
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0087 0.0087
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0089 0.1434 0.1434
Plasmodium falciparum MO15-related protein kinase 0.012 0.2039 1
Trichomonas vaginalis cyclin B3, putative 0.0053 0.0732 0.0667
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Mycobacterium ulcerans hypothetical protein 0.0529 1 1
Trypanosoma cruzi cyclin, putative 0.0103 0.1701 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0165 0.2904 0.2904
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Schistosoma mansoni thyroid hormone receptor 0.002 0.0087 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0087 0.0087
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.005 0.0662 0.2278
Schistosoma mansoni cyclin B 0.0103 0.1701 0.1701
Brugia malayi Protein kinase domain containing protein 0.009 0.1454 0.1454
Toxoplasma gondii hypothetical protein 0.004 0.0481 0.2548
Trichomonas vaginalis cyclins, putative 0.0103 0.1701 0.1644
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0087 0.0087
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1552 0.1493
Echinococcus multilocularis Transglutaminase 0.0529 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0087 0.0087
Leishmania major DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0087 0.0087
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 0.0547 0.2926
Trypanosoma cruzi CYC2-like cyclin, putative 0.0103 0.1701 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0103 0.1701 0.1644
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0087 0.0087
Schistosoma mansoni cyclins 0.0053 0.0732 0.0732
Echinococcus granulosus dna polymerase kappa 0.0019 0.0069 0.0069
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0001 0.0002
Echinococcus multilocularis dna polymerase eta 0.0019 0.0069 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1705 0.1648
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0665 0.0665
Giardia lamblia Transglutaminase/protease, putative 0.0529 1 1
Echinococcus granulosus cyclins 0.0053 0.0732 0.0732
Giardia lamblia Hypothetical protein 0.0053 0.0732 0.0667
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.009 0.1454 0.1454
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.009 0.1454 0.5007
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0044 0.0547 0.321
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Plasmodium falciparum cyclin 0.0053 0.0732 0.3587
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0044 0.0547 0.1882
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0087 0.0087
Echinococcus granulosus Transglutaminase 0.0529 1 1
Echinococcus multilocularis cyclin b3 0.0053 0.0732 0.0732
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0299
Trichomonas vaginalis cyclin D, putative 0.0053 0.0732 0.0667
Schistosoma mansoni DNA polymerase eta 0.0019 0.0069 0.0069
Trichomonas vaginalis peptide N-glycanase, putative 0.0529 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0069 0.0069
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1552 0.9119
Trypanosoma cruzi cdc2-related kinase 3 0.0044 0.0547 0.321
Trypanosoma brucei unspecified product 0.0019 0.0069 0.0402
Loa Loa (eye worm) hypothetical protein 0.0103 0.1701 0.5858
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0069 0.0069
Brugia malayi steroid hormone receptor 0.002 0.0087 0.0087
Mycobacterium ulcerans hypothetical protein 0.0529 1 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0044 0.0547 0.321
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0103 0.1701 0.5858
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0087 0.0299
Giardia lamblia Cyclin A 0.0053 0.0732 0.0667
Loa Loa (eye worm) cyclin domain-containing protein 0.0165 0.2904 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Trypanosoma cruzi cyclin 6, putative 0.0103 0.1701 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0089 0.1434 0.1434
Mycobacterium tuberculosis Conserved protein 0.0529 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1552 0.1493
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0087 0.0087
Onchocerca volvulus 0.0529 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.07 0.3867
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0087 0.0087
Schistosoma mansoni coup transcription factor 0.002 0.0087 0.0087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0087 0.0299
Brugia malayi cell division control protein 2 homolog 0.0044 0.0547 0.0547
Echinococcus granulosus cyclins 0.0053 0.0732 0.0732
Trichomonas vaginalis cyclin D, putative 0.0053 0.0732 0.0667
Echinococcus multilocularis cyclins 0.0053 0.0732 0.0732
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0665 0.2291
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0087 0.0087
Trichomonas vaginalis cyclins, putative 0.0053 0.0732 0.0667
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0087 0.0087
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0087 0.0087
Echinococcus granulosus cyclins 0.0053 0.0732 0.0732
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0069 0.0402
Trypanosoma cruzi cdc2-related kinase 3 0.0044 0.0547 0.321
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0087 0.0087
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0069 0.0237
Brugia malayi Cyclin, N-terminal domain containing protein 0.0165 0.2904 0.2904
Echinococcus multilocularis cyclin dependent kinase 5 0.0044 0.0547 0.0547
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0087 0.0087
Giardia lamblia Kinase, PLK 0.0095 0.1552 0.1493
Trichomonas vaginalis cyclin B, putative 0.0053 0.0732 0.0667
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0087 0.0087
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0087 0.0087
Mycobacterium tuberculosis Long conserved protein 0.0529 1 1
Trichomonas vaginalis cyclin B, putative 0.0103 0.1701 0.1644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0165 0.2904 0.2904
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.1552 0.9119
Echinococcus granulosus cyclin b3 0.0053 0.0732 0.0732
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.1552 0.1552
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0087 0.0087
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0087 0.0087
Brugia malayi nuclear receptor NHR-88 0.002 0.0087 0.0087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0087 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0087 0.0299
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.1552 0.1552
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0087 0.0087
Trichomonas vaginalis cyclin B, putative 0.0103 0.1701 0.1644
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0069 0.0402
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0069 0.0402
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0087 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0087 0.0087
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0089 0.1434 0.1434
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.012 0.2039 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 0.0547 0.1882
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0087 0.0087
Schistosoma mansoni cyclin B3 0.0165 0.2904 0.2904
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trypanosoma cruzi cyclin, putative 0.0103 0.1701 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.1552 0.1478
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.005 0.0665 0.2291
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0087 0.0087
Mycobacterium ulcerans putative transglutaminase-like protein 0.0529 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.1552 0.1552
Mycobacterium tuberculosis Hypothetical protein 0.0529 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0529 1 0.5
Entamoeba histolytica cyclin family protein 0.0053 0.0732 0.406
Plasmodium falciparum protein kinase 5 0.0044 0.0547 0.2678
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.009 0.1454 0.1454
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0069 0.0402

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.