Detailed information for compound 1414929

Basic information

Technical information
  • TDR Targets ID: 1414929
  • Name: 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyr imido[1,2-a]benzimidazole hydrochloride
  • MW: 378.694 | Formula: C17H17BrClN3
  • H donors: 0 H acceptors: 0 LogP: 3.96 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)Cn1c2=NCCCn2c2c1cccc2.Cl
  • InChi: 1S/C17H16BrN3.ClH/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21;/h1-2,4-9H,3,10-12H2;1H
  • InChiKey: VMCFJIBXGSVUAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 10-(4-bromobenzyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole hydrochloride
  • 10-(4-bromobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
  • MLS000683446
  • SMR000267976

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis musashi 0.0033 0.0285 0.1115
Schistosoma mansoni ap endonuclease 0.0023 0.0106 0.0076
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0285 0.038
Brugia malayi Pre-SET motif family protein 0.0157 0.2555 0.3519
Echinococcus granulosus lamin dm0 0.0033 0.0285 0.1115
Plasmodium falciparum thioredoxin reductase 0.0047 0.0543 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.1753 0.6863
Echinococcus granulosus single minded 2 0.0036 0.034 0.133
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0039 0.0152
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.1825 0.7141
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0441 0.0596
Brugia malayi hypothetical protein 0.0148 0.2384 0.3282
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0106 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0157 0.2555 0.2881
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0106 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0788 0.1075
Mycobacterium ulcerans putative regulatory protein 0.0036 0.034 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0106 0.5
Onchocerca volvulus 0.0036 0.034 0.034
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0543 0.1784
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0039 0.004
Schistosoma mansoni transient receptor potential channel 0.0117 0.1825 0.2045
Onchocerca volvulus 0.0033 0.0285 0.0285
Leishmania major trypanothione reductase 0.0047 0.0543 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.1103 0.4316
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0039 0.004
Trichomonas vaginalis set domain proteins, putative 0.0567 1 1
Brugia malayi intermediate filament protein 0.0033 0.0285 0.038
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0485 0.19
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0554 0.2168
Schistosoma mansoni transient receptor potential channel 0.0078 0.1103 0.1218
Loa Loa (eye worm) hypothetical protein 0.0033 0.0285 0.038
Loa Loa (eye worm) hypoxia-induced factor 1 0.0149 0.24 0.3304
Loa Loa (eye worm) hypothetical protein 0.0074 0.1032 0.1413
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0152 0.245 0.9588
Loa Loa (eye worm) hypothetical protein 0.0148 0.2384 0.3282
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0039 0.0152
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0485 0.19
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.004
Plasmodium vivax SET domain protein, putative 0.0157 0.2555 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0485 0.0658
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.0567 0.0605
Brugia malayi hypoxia-induced factor 1 0.0149 0.24 0.3304
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0157 0.2555 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0788 0.1075
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0485 0.0658
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0157 0.2555 0.2881
Trypanosoma brucei trypanothione reductase 0.0047 0.0543 1
Brugia malayi Thioredoxin reductase 0.0047 0.0543 0.0737
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.1103 0.4316
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0106 0.0132
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0543 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0039 0.0152
Brugia malayi SET domain containing protein 0.0348 0.6014 0.8301
Onchocerca volvulus 0.0033 0.0285 0.0285
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0285 0.038
Loa Loa (eye worm) hypothetical protein 0.0117 0.1825 0.2509
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0039 0.0152
Schistosoma mansoni single-minded 0.0048 0.0567 0.0605
Schistosoma mansoni hypothetical protein 0.0041 0.0441 0.046
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0543 0.0737
Schistosoma mansoni ap endonuclease 0.0023 0.0106 0.0076
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0554 0.2168
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0157 0.2555 0.2881
Loa Loa (eye worm) hypothetical protein 0.0342 0.5909 0.8156
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0106 0.0132
Onchocerca volvulus Huntingtin homolog 0.0148 0.2384 0.2384
Loa Loa (eye worm) hypothetical protein 0.0032 0.0274 0.0365
Loa Loa (eye worm) glutathione reductase 0.0047 0.0543 0.0737
Loa Loa (eye worm) hypothetical protein 0.0148 0.2384 0.3282
Loa Loa (eye worm) hypothetical protein 0.0161 0.2627 0.3619
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0106 0.5
Echinococcus multilocularis lamin 0.0033 0.0285 0.1115
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0157 0.2555 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0285 0.038
Loa Loa (eye worm) hypothetical protein 0.0157 0.2555 0.3519
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.034 0.133
Schistosoma mansoni lamin 0.0033 0.0285 0.0282
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.1103 0.4316
Brugia malayi PAS domain containing protein 0.0048 0.0567 0.0771
Echinococcus multilocularis lamin dm0 0.0033 0.0285 0.1115
Toxoplasma gondii thioredoxin reductase 0.0047 0.0543 0.1784
Loa Loa (eye worm) hypothetical protein 0.0041 0.0441 0.0596
Schistosoma mansoni lamin 0.0033 0.0285 0.0282
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.1825 0.7141
Onchocerca volvulus Huntingtin homolog 0.0148 0.2384 0.2384
Echinococcus granulosus intermediate filament protein 0.0033 0.0285 0.1115
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.1753 0.6863
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0499 0.8771 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0039 0.004
Brugia malayi bHLH-PAS transcription factor 0.0036 0.034 0.0456
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0788 0.1075
Schistosoma mansoni intermediate filament proteins 0.0033 0.0285 0.0282
Brugia malayi Pre-SET motif family protein 0.0415 0.7243 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0788 0.1075
Schistosoma mansoni transient receptor potential channel 0.0078 0.1103 0.1218
Echinococcus granulosus lamin 0.0033 0.0285 0.1115
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.1103 0.4316
Plasmodium falciparum glutathione reductase 0.0047 0.0543 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0106 0.0413
Brugia malayi hypothetical protein 0.0161 0.2627 0.3619
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0157 0.2555 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0106 0.0413
Plasmodium vivax glutathione reductase, putative 0.0047 0.0543 0.1784
Echinococcus granulosus GPCR family 2 0.0019 0.0039 0.0152
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0039 0.0152
Echinococcus granulosus histone lysine methyltransferase setb 0.0157 0.2555 1
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.1825 0.2045
Onchocerca volvulus 0.0499 0.8771 0.8771
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0543 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.5706 0.7876
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0415 0.7243 1
Brugia malayi glutathione reductase 0.0047 0.0543 0.0737
Loa Loa (eye worm) hypothetical protein 0.004 0.0414 0.0559

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0.5307 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 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) 4.6109 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) 5.2213 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) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 21.1923 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) 21.3313 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) 23.9341 uM PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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