Detailed information for compound 1327221

Basic information

Technical information
  • TDR Targets ID: 1327221
  • Name: 3-Amino-9-hydroxy-1-thiophen-3-yl-1H-benzo[f] chromene-2-carbonitrile
  • MW: 320.365 | Formula: C18H12N2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.87 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1cscc1)c1cc(O)ccc1cc2
  • InChi: 1S/C18H12N2O2S/c19-8-14-16(11-5-6-23-9-11)17-13-7-12(21)3-1-10(13)2-4-15(17)22-18(14)20/h1-7,9,16,21H,20H2
  • InChiKey: MXACPJKCPLBEQM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-9-hydroxy-1-(3-thienyl)-1H-benzo[f]chromene-2-carbonitrile
  • MLS000587526
  • SMR000211578
  • STOCK1S-23261

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens troponin I type 3 (cardiac) Starlite/ChEMBL No references
Caenorhabditis elegans Protein MEX-5 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens troponin C type 1 (slow) Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens fibrinogen beta chain Starlite/ChEMBL No references
Homo sapiens troponin T type 2 (cardiac) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_129858 All targets in OG5_129858
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Onchocerca volvulus Troponin I homolog Get druggable targets OG5_132708 All targets in OG5_132708
Echinococcus granulosus troponin i Get druggable targets OG5_132708 All targets in OG5_132708
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus oncosphere protein Tso22e Get druggable targets OG5_129858 All targets in OG5_129858
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma japonicum IPR001978,Troponin,domain-containing Get druggable targets OG5_132708 All targets in OG5_132708
Brugia malayi Troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132708 All targets in OG5_132708
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) troponin Get druggable targets OG5_129858 All targets in OG5_129858
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Troponin T, skeletal muscle homolog Get druggable targets OG5_129858 All targets in OG5_129858
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Troponin T, skeletal muscle, putative Get druggable targets OG5_129858 All targets in OG5_129858
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Troponin I 4, putative Get druggable targets OG5_132708 All targets in OG5_132708
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_132708 All targets in OG5_132708
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Troponin T, skeletal muscle homolog Get druggable targets OG5_129858 All targets in OG5_129858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni troponin t invertebrate Get druggable targets OG5_129858 All targets in OG5_129858
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132708 All targets in OG5_132708
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis troponin i Get druggable targets OG5_132708 All targets in OG5_132708
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Troponin family protein Get druggable targets OG5_132708 All targets in OG5_132708
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129858 All targets in OG5_129858
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 Get druggable targets OG5_129858 All targets in OG5_129858
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium falciparum centrin-3 troponin C type 1 (slow) 161 aa 148 aa 33.1 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0403 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.3874 0.3859
Echinococcus granulosus troponin i 0.0129 0.3452 0.6116
Schistosoma mansoni hypothetical protein 0.0205 0.5552 1
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.016 0.4313 0.7708
Brugia malayi MH1 domain containing protein 0.001 0.0147 0.0122
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0147 0.0122
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0403 0.1408
Brugia malayi Troponin I 0.0129 0.3452 0.3436
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0403 0.1408
Loa Loa (eye worm) troponin I 0.0129 0.3452 0.3436
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0403 0.1408
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.2864 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0147 0.0122
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.2864 1
Entamoeba histolytica hypothetical protein 0.0108 0.2864 0.5
Brugia malayi Troponin T 0.0076 0.1996 0.1977
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0403 1
Echinococcus multilocularis dual specificity 0.0108 0.2864 0.5028
Entamoeba histolytica protein kinase, putative 0.0108 0.2864 0.5
Schistosoma mansoni troponin I 0.0129 0.3452 0.6116
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0076 0.1996 0.196
Echinococcus granulosus dual specificity 0.0108 0.2864 0.5028
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.2864 0.5028
Loa Loa (eye worm) hypothetical protein 0.0006 0.0045 0.002
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0403 0.0475
Schistosoma mansoni hypothetical protein 0.0129 0.3452 0.6116
Schistosoma mansoni hypothetical protein 0.0205 0.5552 1
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.2864 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.2849 0.2831
Loa Loa (eye worm) Smad1 0.001 0.0147 0.0122
Brugia malayi MH1 domain containing protein 0.001 0.0147 0.0122
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.2864 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3874 0.3859
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.016 0.4313 0.4287
Onchocerca volvulus Troponin I homolog 0.0129 0.3452 0.3423
Brugia malayi Troponin T 0.0076 0.1996 0.1977
Brugia malayi MH2 domain containing protein 0.001 0.0147 0.0122
Schistosoma mansoni troponin I 0.0129 0.3452 0.6116
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0403 0.0475
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0403 0.5
Echinococcus granulosus oncosphere protein Tso22e 0.016 0.4313 0.7708
Echinococcus multilocularis geminin 0.0205 0.5552 1
Schistosoma mansoni troponin I 0.0129 0.3452 0.6116
Brugia malayi Troponin family protein 0.0129 0.3452 0.3436
Loa Loa (eye worm) hypothetical protein 0.0076 0.1996 0.1977
Schistosoma mansoni troponin t invertebrate 0.016 0.4313 0.7708
Entamoeba histolytica protein kinase, putative 0.0108 0.2864 0.5
Loa Loa (eye worm) troponin T 0.0076 0.1996 0.1977
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0403 0.0475
Loa Loa (eye worm) hypothetical protein 0.0006 0.0045 0.002
Brugia malayi Troponin T 0.0076 0.1996 0.1977
Loa Loa (eye worm) hypothetical protein 0.0107 0.2849 0.2831
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0403 0.0475
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.2864 0.2847
Loa Loa (eye worm) hypothetical protein 0.0129 0.3452 0.3436
Loa Loa (eye worm) troponin 0.0076 0.1996 0.1977
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.2864 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3452 0.3436
Loa Loa (eye worm) hypothetical protein 0.0006 0.0045 0.002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0403 0.0475
Brugia malayi isocitrate dehydrogenase 0.0019 0.0403 0.038
Loa Loa (eye worm) hypothetical protein 0.0006 0.0045 0.002
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0403 0.038
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0403 0.1408
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3874 0.3859
Brugia malayi Smad1 0.001 0.0147 0.0122
Echinococcus multilocularis troponin i 0.0129 0.3452 0.6116
Echinococcus granulosus geminin 0.0205 0.5552 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0403 0.0475
Schistosoma mansoni troponin I 0.0129 0.3452 0.6116
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.0045 0.002
Onchocerca volvulus 0.0365 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0403 0.1408
Brugia malayi Protein kinase domain containing protein 0.0108 0.2864 0.2847
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0403 0.0475
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0403 0.5
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0403 0.038
Loa Loa (eye worm) hypothetical protein 0.0365 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0403 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0147 0.0122
Brugia malayi hypothetical protein 0.0076 0.1996 0.1977

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 8.556 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
AC50 (binding) = 51.607 uM PUBCHEM_BIOASSAY: C-LANA FP assay Measured in Biochemical System Using Plate Reader - 2117-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504431] ChEMBL. No reference
AC50 (binding) > 52 uM PUBCHEM_BIOASSAY: Fluorescence polarization to screen for inhibitors that disrupt the protein-protein interaction between Keap1 and Nrf2 Measured in Biochemical System Using Plate Reader - 2119-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504540] ChEMBL. No reference
AC50 (functional) 52.35 uM PubChem BioAssay. Fluorescence polarization aasay to screen for inhibitors that compete for the binding of FadD28 to a bisubstrate Measured in Biochemical System Using Plate Reader - 2147-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (binding) = 10.987 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 18.755 uM PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493008, AID493018, AID504382, AID504383] ChEMBL. No reference
EC50 (binding) = 76.11 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
IC50 (binding) 8.514 uM PubChem BioAssay. Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn6) to the fibrin proteolytic product D-Dimer and fragment E complex [DD(E )]. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) 83.294 uM PubChem BioAssay. Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn7) to the fibrin proteolytic product D-Dimer and fragment E complex [DD(E )]. (Class of assay: confirmatory) ChEMBL. No reference
Max_Activity_Concent (functional) 0.38 uM PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) 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) 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.7578 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1) - Round 2 Cherry Picks. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2367, AID593, AID594] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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