Detailed information for compound 1396279

Basic information

Technical information
  • TDR Targets ID: 1396279
  • Name: 4-methyl-N-(2-pyrimidin-2-ylsulfanylacenaphth en-1-yl)benzenesulfonamide
  • MW: 433.546 | Formula: C23H19N3O2S2
  • H donors: 1 H acceptors: 4 LogP: 4.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)NC1c2cccc3c2c(C1Sc1ncccn1)ccc3
  • InChi: 1S/C23H19N3O2S2/c1-15-9-11-17(12-10-15)30(27,28)26-21-18-7-2-5-16-6-3-8-19(20(16)18)22(21)29-23-24-13-4-14-25-23/h2-14,21-22,26H,1H3
  • InChiKey: OITMRGUQXMGHLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-N-[2-(2-pyrimidinylthio)-1-acenaphthenyl]benzenesulfonamide
  • 4-methyl-N-[2-(pyrimidin-2-ylthio)acenaphthen-1-yl]benzenesulfonamide
  • EU-0014043
  • 4-Methyl-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide
  • BAS 06013310
  • ChemDiv2_001160
  • MLS000548669
  • SMR000172313

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase 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
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
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 braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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 Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0025 0.0095
Onchocerca volvulus 0.0049 0.0008 1
Schistosoma mansoni regulator of G protein signaling 0.0669 0.0947 0.3542
Loa Loa (eye worm) hypothetical protein 0.0669 0.0947 0.3542
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.005 0.0187
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1417 0.1417
Echinococcus granulosus axis inhibition protein axin 0.0669 0.0947 0.0947
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0049 0.0008 0.0008
Echinococcus granulosus axis inhibition protein axin 0.0669 0.0947 0.0947
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0133 0.0133
Schistosoma mansoni serine/threonine protein kinase 0.0669 0.0948 0.3545
Loa Loa (eye worm) hypothetical protein 0.0669 0.0947 0.3542
Brugia malayi phosphofructokinase 0.0131 0.0133 0.0497
Plasmodium falciparum glycogen synthase kinase 3 0.0049 0.0008 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0669 0.0947 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0133 0.0497
Brugia malayi PXA domain containing protein 0.0669 0.0947 0.3542
Trichomonas vaginalis conserved hypothetical protein 0.0669 0.0947 1
Loa Loa (eye worm) hypothetical protein 0.1809 0.2674 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0133 0.1329
Echinococcus multilocularis axis inhibition protein axin 0.0669 0.0947 0.0947
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0669 0.0947 0.0947
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0133 0.0497
Echinococcus multilocularis regulator of G protein signaling 7 0.0669 0.0947 0.0947
Echinococcus granulosus regulator of G protein signaling 3 0.1809 0.2674 0.2674
Trichomonas vaginalis conserved hypothetical protein 0.0669 0.0947 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.005 0.005
Schistosoma mansoni serine/threonine protein kinase 0.0669 0.0948 0.3545
Echinococcus multilocularis regulator of G protein signaling 0.1809 0.2674 0.2674
Schistosoma mansoni tar DNA-binding protein 0.0076 0.005 0.0187
Loa Loa (eye worm) hypothetical protein 0.006 0.0025 0.0095
Giardia lamblia Kinase, CMGC GSK 0.0049 0.0008 0.5
Entamoeba histolytica hypothetical protein 0.0669 0.0947 1
Schistosoma mansoni regulator of G protein signaling 0.1809 0.2674 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0669 0.0947 0.3542
Echinococcus multilocularis regulator of G protein signaling 3 0.1809 0.2674 0.2674
Brugia malayi regulator of G-protein signaling rgs-7 0.1809 0.2674 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0025 0.0095
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0049 0.0008 0.0611
Schistosoma mansoni tar DNA-binding protein 0.0076 0.005 0.0187
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0669 0.0948 0.3545
Echinococcus multilocularis protein kinase shaggy 0.0049 0.0008 0.0008
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0133 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0355 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0049 0.0008 1
Trichomonas vaginalis conserved hypothetical protein 0.0669 0.0947 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0133 0.3747
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.005 0.0187
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0045 0.34
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0133 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0045 1
Trichomonas vaginalis conserved hypothetical protein 0.0669 0.0947 1
Echinococcus multilocularis regulator of G protein signaling 3 0.1809 0.2674 0.2674
Brugia malayi Regulator of G protein signaling domain containing protein 0.0669 0.0947 0.3542
Loa Loa (eye worm) PXA domain-containing protein 0.0669 0.0947 0.3542
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0669 0.0947 0.3542
Schistosoma mansoni z-protein (S1r protein) 0.0669 0.0947 0.3542
Echinococcus multilocularis Regulator of G protein signaling 20 0.0669 0.0947 0.0947
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0669 0.0947 0.3542
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0669 0.0947 0.3542
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0669 0.0947 1
Trichomonas vaginalis conserved hypothetical protein 0.0669 0.0947 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0669 0.0947 0.3542
Echinococcus granulosus regulator of G protein signaling 7 0.0669 0.0947 0.0947
Loa Loa (eye worm) hypothetical protein 0.0669 0.0947 0.3542
Schistosoma mansoni axis inhibition protein axin 0.0669 0.0947 0.3542
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0049 0.0008 0.0008
Brugia malayi hypothetical protein 0.0669 0.0947 0.3542
Brugia malayi regulator of G-protein signaling egl-10 0.0669 0.0947 0.3542
Brugia malayi PXA domain containing protein 0.0669 0.0947 0.3542
Echinococcus granulosus regulator of G protein signaling 3 0.1809 0.2674 0.2674
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0008 0.003
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0008 0.0086
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0049 0.0008 0.1798
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0049 0.0008 0.003
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0045 0.0169
Loa Loa (eye worm) hypothetical protein 0.0669 0.0947 0.3542
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0133 0.0497
Schistosoma mansoni regulator of G protein signaling 0.0669 0.0947 0.3542
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0133 0.1404
Loa Loa (eye worm) hypothetical protein 0.0669 0.0947 0.3542
Loa Loa (eye worm) TAR-binding protein 0.0076 0.005 0.0187
Schistosoma mansoni regulator of G protein signaling 0.1809 0.2674 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0669 0.0948 0.0948
Brugia malayi RNA binding protein 0.0076 0.005 0.0187
Echinococcus multilocularis beta adrenergic receptor kinase 0.0669 0.0948 0.0948
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0133 0.5
Brugia malayi 6-phosphofructokinase 0.0131 0.0133 0.0497
Brugia malayi TAR-binding protein 0.0076 0.005 0.0187
Echinococcus multilocularis axis inhibition protein axin 0.0669 0.0947 0.0947
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0133 0.1404
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0008 0.003
Brugia malayi intracellular kinase 0.0049 0.0008 0.003
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.0133 1
Brugia malayi 6-phosphofructokinase 0.0131 0.0133 0.0497
Echinococcus multilocularis tar DNA binding protein 0.0076 0.005 0.005
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0133 0.1329
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0669 0.0947 0.0947
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0669 0.0947 0.3542
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0045 0.1274
Entamoeba histolytica hypothetical protein 0.0669 0.0947 1
Echinococcus granulosus protein kinase shaggy 0.0049 0.0008 0.0008
Schistosoma mansoni regulator of G protein signaling 0.0669 0.0947 0.3542
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0045 0.0169
Brugia malayi hypothetical protein 0.0669 0.0947 0.3542
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0133 0.1404
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0133 0.1329
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1196 0.1196
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0133 0.0497
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0133 1
Schistosoma mansoni axis inhibition protein axin 0.0669 0.0947 0.3542
Loa Loa (eye worm) RGS-3 protein 0.0669 0.0947 0.3542
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0045 0.0045
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0049 0.0008 0.0611
Schistosoma mansoni tar DNA-binding protein 0.0076 0.005 0.0187
Entamoeba histolytica hypothetical protein 0.0669 0.0947 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.005 0.0187
Echinococcus granulosus regulator of G protein signaling 7 0.0669 0.0947 0.0947
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0133 0.1404
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0669 0.0948 0.3545
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0045 0.34
Trypanosoma brucei protein kinase, putative 0.0049 0.0008 0.0611
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0045 0.0045
Echinococcus multilocularis regulator of G protein signaling 7 0.0669 0.0947 0.0947
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0133 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0669 0.0947 0.0947
Schistosoma mansoni serine/threonine protein kinase 0.0669 0.0948 0.3545
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0133 0.0133
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0045 0.34
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0025 0.0095
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0008 0.0086
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1196 0.1196
Schistosoma mansoni tar DNA-binding protein 0.0076 0.005 0.0187
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1196 0.4474
Giardia lamblia Kinase, CMGC GSK 0.0049 0.0008 0.5
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0669 0.0948 0.3545
Loa Loa (eye worm) RNA binding protein 0.0076 0.005 0.0187
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0133 0.0497
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0045 0.34

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.012 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10.4179 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
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 19.9526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
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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