Detailed information for compound 1431478

Basic information

Technical information
  • TDR Targets ID: 1431478
  • Name: N-[5-[2-[(3-methoxyphenyl)amino]-1,3-thiazol- 4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carbo xamide
  • MW: 412.485 | Formula: C19H16N4O3S2
  • H donors: 2 H acceptors: 3 LogP: 4.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Nc1scc(n1)c1sc(nc1C)NC(=O)c1ccco1
  • InChi: 1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-7-4-8-26-15)14-10-27-18(22-14)21-12-5-3-6-13(9-12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
  • InChiKey: MLLKTOICHBSFMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-[2-[(3-methoxyphenyl)amino]thiazol-4-yl]-4-methyl-thiazol-2-yl]furan-2-carboxamide
  • N-[5-[2-[(3-methoxyphenyl)amino]-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide
  • N-[5-[2-[(3-methoxyphenyl)amino]thiazol-4-yl]-4-methyl-thiazol-2-yl]-2-furamide
  • MLS000561591
  • SMR000156116

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0848 0.4977
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0195 0.1142
Onchocerca volvulus Huntingtin homolog 0.0148 0.1703 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0195 0.0178
Echinococcus multilocularis dna polymerase eta 0.0023 0.0195 0.0178
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0641 0.3764
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0195 0.1142
Onchocerca volvulus 0.0077 0.0848 0.3759
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.084
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0195 1
Schistosoma mansoni peroxidasin 0.0077 0.0848 0.0848
Loa Loa (eye worm) hypothetical protein 0.0148 0.1703 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1703 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0143 0.084
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0195 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0195 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0195 1
Trypanosoma brucei unspecified product 0.0023 0.0195 1
Onchocerca volvulus Dual oxidase homolog 0.0077 0.0848 0.3759
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0143 0.084
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0195 0.0178
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0848 0.4977
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0195 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0195 1
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0143
Echinococcus granulosus dna polymerase kappa 0.0023 0.0195 0.0178
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.4084 1
Trypanosoma brucei unspecified product 0.0016 0.0107 0.55
Leishmania major DNA polymerase kappa, putative 0.0023 0.0195 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0195 0.0195
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Onchocerca volvulus 0.0077 0.0848 0.3759
Onchocerca volvulus Peroxidasin homolog 0.0077 0.0848 0.3759
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0848 0.4977
Schistosoma mansoni cpg binding protein 0.0035 0.0332 0.0332
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.4084 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0195 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Brugia malayi hypothetical protein 0.0077 0.0848 0.4977
Brugia malayi hypothetical protein 0.0148 0.1703 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0042 0.0248
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0848 0.4977
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0195 0.0178
Brugia malayi Blistered cuticle protein 3 0.0077 0.0848 0.4977
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0332 0.1951
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0107 0.55
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0042 0.0026
Brugia malayi CXXC zinc finger family protein 0.0035 0.0332 0.1951
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0195 0.1142
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0195 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0195 0.0476
Onchocerca volvulus 0.0077 0.0848 0.3759
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0195 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0195 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0143 0.0126
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0143 0.0126
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0143
Echinococcus granulosus dna polymerase eta 0.0023 0.0195 0.0178
Onchocerca volvulus Peroxidasin homolog 0.0077 0.0848 0.3759
Echinococcus granulosus GPCR family 2 0.0019 0.0143 0.0126
Echinococcus granulosus cpg binding protein 0.0037 0.0356 0.034
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0195 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0107 0.55
Echinococcus multilocularis cpg binding protein 0.0037 0.0356 0.034
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0143 0.084
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.006 0.0641 0.3764
Loa Loa (eye worm) hypothetical protein 0.0041 0.0411 0.2411
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.4084 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0143 0.0126
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0041 0.0239
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0708 1
Echinococcus granulosus peroxidasin 0.0077 0.0848 0.0832
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0848 0.4977
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Schistosoma mansoni cpg binding protein 0.0037 0.0356 0.0356
Echinococcus multilocularis peroxidasin 0.0077 0.0848 0.0832
Schistosoma mansoni hypothetical protein 0.0041 0.0411 0.0411
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0848 0.4977
Schistosoma mansoni cpg binding protein 0.0037 0.0356 0.0356
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0848 0.4977
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0848 0.4977
Loa Loa (eye worm) blistered cuticle protein 3 0.0077 0.0848 0.4977
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.4084 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0042 0.0026
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0195 0.0476
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0107 0.55
Brugia malayi Peroxidasin 0.0077 0.0848 0.4977
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0195 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0143 0.0126
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0143 0.0126
Schistosoma mansoni peroxidasin 0.0077 0.0848 0.0848
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0848 0.4977
Loa Loa (eye worm) hypothetical protein 0.0023 0.0195 0.1142
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0195 0.0195
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.4084 0.5
Trypanosoma brucei unspecified product 0.0016 0.0107 0.55
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0143
Onchocerca volvulus Huntingtin homolog 0.0148 0.1703 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0641 0.3764
Schistosoma mansoni hypothetical protein 0.0494 0.5892 0.5892
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Treponema pallidum hypothetical protein 0.0345 0.4084 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0143 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Onchocerca volvulus Peroxidase homolog 0.0077 0.0848 0.3759
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0641 0.3764
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Onchocerca volvulus Peroxidase homolog 0.0077 0.0848 0.3759
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5892 0.5885
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5892 0.5885
Onchocerca volvulus Chorion peroxidase homolog 0.0077 0.0848 0.3759
Loa Loa (eye worm) hypothetical protein 0.0077 0.0848 0.4977
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0411 0.2411
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0195 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 13.5 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 33.2 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 12.5893 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) 13.1154 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 15.8489 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) 20.5962 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) 21.3349 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: 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.
 
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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