Detailed information for compound 1307705

Basic information

Technical information
  • TDR Targets ID: 1307705
  • Name: MLS000118526
  • MW: 365.383 | Formula: C20H19N3O4
  • H donors: 1 H acceptors: 3 LogP: 2.68 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)Cn1ncc2c1c1ccccc1oc2=O)CCc1ccco1
  • InChi: 1S/C20H19N3O4/c1-13(8-9-14-5-4-10-26-14)22-18(24)12-23-19-15-6-2-3-7-17(15)27-20(25)16(19)11-21-23/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,24)
  • InChiKey: GLQULLFLRZGZKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-furan-2-ylbutan-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
  • N-(4-furan-2-ylbutan-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)ethanamide
  • N-[3-(2-furyl)-1-methyl-propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
  • N-[3-(2-furyl)-1-methylpropyl]-2-(4-oxo-1-chromeno[3,4-d]pyrazolyl)acetamide
  • N-[3-(2-furyl)-1-methyl-propyl]-2-(4-ketochromeno[3,4-d]pyrazol-1-yl)acetamide
  • SMR000095467

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Long conserved protein 0.0599 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0075 0.0075
Leishmania major DNA polymerase eta, putative 0.0019 0.006 0.0402
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1352 0.13
Giardia lamblia Transglutaminase/protease, putative 0.0599 1 1
Mycobacterium ulcerans hypothetical protein 0.0599 1 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.006 0.006
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0989 0.0989
Giardia lamblia Kinase, CMGC CDK 0.0043 0.0476 0.0419
Brugia malayi Protein kinase domain containing protein 0.009 0.1267 0.1267
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0579 0.0579
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0253 0.1708
Echinococcus multilocularis dna polymerase kappa 0.0019 0.006 0.006
Brugia malayi Cyclin, N-terminal domain containing protein 0.0163 0.253 0.253
Brugia malayi Cyclin, N-terminal domain containing protein 0.0102 0.1482 0.1482
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.1352 0.1286
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Trichomonas vaginalis cyclin D, putative 0.0053 0.0637 0.0581
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0075 0.0075
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0075 0.0075
Echinococcus multilocularis kinase protein 0.0089 0.1249 0.1249
Plasmodium falciparum MO15-related protein kinase 0.0119 0.1776 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.006 0.0402
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1352 0.9119
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0075 0.0075
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0253 0.1708
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0075 0.0075
Toxoplasma gondii hypothetical protein 0.004 0.0419 0.2548
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0043 0.0476 0.2897
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0253 0.1708
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0075 0.0075
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.1352 0.5342
Trichomonas vaginalis cyclin B, putative 0.0102 0.1482 0.1431
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0075 0.0075
Trichomonas vaginalis cyclin B3, putative 0.0053 0.0637 0.0581
Brugia malayi ecdysteroid receptor 0.002 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0075 0.0075
Echinococcus multilocularis Transglutaminase 0.0599 1 1
Trichomonas vaginalis cyclin B, putative 0.0102 0.1482 0.1431
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.0235
Loa Loa (eye worm) cyclin domain-containing protein 0.0163 0.253 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.1352 0.9119
Echinococcus granulosus cyclin b3 0.0053 0.0637 0.0637
Brugia malayi Protein kinase domain containing protein 0.0043 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0075 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Schistosoma mansoni cyclin B3 0.0163 0.253 0.253
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0476 0.0419
Brugia malayi hypothetical protein 0.002 0.0068 0.0068
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.1352 0.1352
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0075 0.0075
Echinococcus granulosus cyclins 0.0053 0.0637 0.0637
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0075 0.0075
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0075 0.0075
Trichomonas vaginalis cyclins, putative 0.0062 0.0795 0.074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0075 0.0075
Mycobacterium tuberculosis Conserved hypothetical protein 0.0599 1 1
Echinococcus granulosus cyclin B3 1 0.0053 0.0637 0.0637
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0075 0.0075
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.003 0.0253 0.1
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0476 0.2926
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Entamoeba histolytica cyclin, putative 0.0053 0.0637 0.406
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0989 0.0989
Echinococcus multilocularis cyclin b3 0.0053 0.0637 0.0637
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.006 0.0402
Echinococcus granulosus FTZ F1 alpha 0.002 0.0075 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Onchocerca volvulus 0.0599 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0075 0.0075
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.0476 0.321
Trypanosoma cruzi CYC2-like cyclin, putative 0.0102 0.1482 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0043 0.0476 0.0476
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0989 0.6019
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0163 0.253 0.253
Schistosoma mansoni thyroid hormone receptor 0.002 0.0075 0.0075
Trypanosoma cruzi cyclin, putative 0.0102 0.1482 1
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0089 0.1249 0.1249
Mycobacterium tuberculosis Hypothetical protein 0.0599 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1352 0.13
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0075 0.0075
Trichomonas vaginalis cyclin B, putative 0.0102 0.1482 0.1431
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0989 0.0989
Mycobacterium ulcerans putative transglutaminase-like protein 0.0599 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.0476 0.321
Entamoeba histolytica cyclin family protein 0.0053 0.0637 0.406
Echinococcus granulosus dna polymerase eta 0.0019 0.006 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Mycobacterium tuberculosis Conserved hypothetical protein 0.0599 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1352 0.13
Trypanosoma brucei cdc2-related kinase 3 0.0043 0.0476 0.321
Mycobacterium leprae Conserved hypothetical protein 0.0599 1 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0989 0.0935
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0989 0.0989
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.009 0.1267 0.5006
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.009 0.1267 0.1267
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.006 0.006
Echinococcus granulosus cyclins 0.0053 0.0637 0.0637
Schistosoma mansoni hypothetical protein 0.0034 0.0311 0.0311
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0043 0.0476 0.321
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.006 0.0402
Giardia lamblia G2/mitotic-specific cyclin B 0.0102 0.1482 0.1431
Loa Loa (eye worm) hypothetical protein 0.0102 0.1482 0.5858
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0989 0.0989
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0075 0.0075
Schistosoma mansoni DNA polymerase eta 0.0019 0.006 0.006
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.006 0.006
Schistosoma mansoni cyclin B 0.0102 0.1482 0.1482
Echinococcus granulosus cyclins 0.0053 0.0637 0.0637
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Plasmodium falciparum cyclin 0.0053 0.0637 0.3587
Onchocerca volvulus 0.0102 0.1482 0.1418
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.009 0.1267 0.1267
Trichomonas vaginalis cyclin A, putative 0.0102 0.1482 0.1431
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0476 0.0419
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0075 0.0075
Trypanosoma brucei polo-like protein kinase 0.0094 0.1352 0.9119
Mycobacterium ulcerans transglutaminase family protein 0.0599 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0075 0.0075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0075 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0075 0.0297
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0476 0.0476
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0075 0.0075
Trichomonas vaginalis cyclins, putative 0.0102 0.1482 0.1431
Mycobacterium ulcerans hypothetical protein 0.0599 1 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0163 0.253 0.253
Entamoeba histolytica cyclin family protein 0.0053 0.0637 0.406
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0075 0.0075
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0253 0.1425
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1352 0.13
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1485 0.1434
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0043 0.0476 0.321
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.006 0.0402
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0089 0.1249 0.1249
Schistosoma mansoni coup transcription factor 0.002 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0075 0.0075
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0119 0.1776 1
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.006 0.0402
Trypanosoma brucei unspecified product 0.0019 0.006 0.0402
Brugia malayi cell division control protein 2 homolog 0.0043 0.0476 0.0476
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.0476 0.321
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0075 0.0075
Giardia lamblia Cyclin A 0.0053 0.0637 0.0581
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0075 0.0075
Echinococcus granulosus cyclin B 0.0102 0.1482 0.1482
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0075 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0075 0.0075
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0089 0.1249 0.1249
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0476 0.0419
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0253 0.1541
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.006 0.006
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0043 0.0476 0.0476
Trypanosoma brucei mitotic cyclin 6 0.0102 0.1482 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0579 0.229
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0253 0.1425
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.054 0.0483
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0075 0.0075
Giardia lamblia Kinase, PLK 0.0094 0.1352 0.13
Echinococcus granulosus cyclins 0.0053 0.0637 0.0637
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.002 0.0075 0.0297
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.1352 0.9082
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0075 0.0075
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0111 0.1642 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.006 0.006
Brugia malayi steroid hormone receptor 0.002 0.0075 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1352 0.13
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0579 0.229
Echinococcus granulosus Transglutaminase 0.0599 1 1
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0089 0.1249 0.1249
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0253 0.1425
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0075 0.0075
Trichomonas vaginalis cyclin D, putative 0.0053 0.0637 0.0581
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0043 0.0476 0.188
Loa Loa (eye worm) hypothetical protein 0.0049 0.0576 0.2277
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0989 0.0935
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0989 0.667
Leishmania major DNA polymerase kappa, putative 0.0019 0.006 0.0402
Schistosoma mansoni kinase 0.0048 0.0561 0.0561
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.006 0.006
Trichomonas vaginalis cyclins, putative 0.0102 0.1482 0.1431
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.1352 0.1352
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0075 0.0297
Schistosoma mansoni thyroid hormone receptor 0.002 0.0075 0.0075
Trypanosoma cruzi cyclin, putative 0.0102 0.1482 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0089 0.1249 0.1249
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.006 0.0402
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Trypanosoma cruzi cyclin 6, putative 0.0102 0.1482 1
Giardia lamblia Hypothetical protein 0.0599 1 1
Echinococcus multilocularis cyclin dependent kinase 0.0043 0.0476 0.0476
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0075 0.0075
Echinococcus granulosus cyclins 0.0053 0.0637 0.0637
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0075 0.0075
Trichomonas vaginalis cyclin B, putative 0.0102 0.1482 0.1431
Echinococcus multilocularis cyclin B3 1 0.0053 0.0637 0.0637
Loa Loa (eye worm) hypothetical protein 0.0102 0.1482 0.5858
Echinococcus granulosus cyclin dependent kinase 5 0.0043 0.0476 0.0476
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0989 0.0935
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1352 0.13
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0075 0.0075
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0075 0.0297
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0075 0.0075
Trichomonas vaginalis cyclin B, putative 0.0053 0.0637 0.0581
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0476 0.188
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0476 0.188
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.006 0.0402
Loa Loa (eye worm) hypothetical protein 0.0034 0.0311 0.1229
Trypanosoma brucei cdc2-related kinase 1 0.0043 0.0476 0.321
Brugia malayi hypothetical protein 0.003 0.0253 0.0253
Brugia malayi nuclear hormone receptor 0.002 0.0075 0.0075
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0042 0.0457 0.1808
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.006 0.006
Entamoeba histolytica cyclin, putative 0.0102 0.1482 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0637 0.0581
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.006 0.0402
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.006 0.0235
Trichomonas vaginalis cyclins, putative 0.0102 0.1482 0.1431
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.1352 0.1352
Echinococcus granulosus cyclin dependent kinase 0.0043 0.0476 0.0476
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0075 0.0075
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.006 0.006
Mycobacterium leprae Conserved hypothetical protein 0.0599 1 0.5
Plasmodium falciparum protein kinase 5 0.0043 0.0476 0.2678
Trichomonas vaginalis peptide N-glycanase, putative 0.0599 1 1
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Leishmania major cyclin 0.0102 0.1482 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0075 0.0075
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1352 0.9119
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0075 0.0075
Trichomonas vaginalis cyclins, putative 0.0102 0.1482 0.1431
Echinococcus multilocularis cyclin B 0.0102 0.1482 0.1482
Giardia lamblia Kinase, CMGC CDK 0.0043 0.0476 0.0419
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0075 0.0297
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0311 0.0311
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0476 0.0476
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0075 0.0297
Leishmania major hypothetical protein, conserved 0.003 0.0253 0.1708
Giardia lamblia Hypothetical protein 0.0053 0.0637 0.0581
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0089 0.1249 0.1249
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Echinococcus multilocularis kinase protein 0.0089 0.1249 0.1249
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.006 0.006
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.1352 0.1352
Mycobacterium tuberculosis Conserved protein 0.0599 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0102 0.1482 0.1482
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.006 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0075 0.0075
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.006 0.0402
Brugia malayi nuclear receptor NHR-88 0.002 0.0075 0.0075
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0102 0.1482 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0075 0.0297
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0476 0.0476
Schistosoma mansoni cyclins 0.0053 0.0637 0.0637
Plasmodium vivax protein kinase Crk2 0.0043 0.0476 0.2678
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0075 0.0075
Schistosoma mansoni nuclear hormone receptor 0.002 0.0075 0.0075
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0075 0.0297
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0075 0.0297
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.006 0.0402
Echinococcus multilocularis dna polymerase eta 0.0019 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0599 1 1
Trichomonas vaginalis cyclins, putative 0.0053 0.0637 0.0581
Echinococcus multilocularis cyclins 0.0053 0.0637 0.0637
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.0476 0.321
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.061 0.3867
Echinococcus granulosus cyclin dependent kinase 1 0.0043 0.0476 0.0476
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.054 0.0483

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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