Detailed information for compound 1296349

Basic information

Technical information
  • TDR Targets ID: 1296349
  • Name: 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbalde hyde
  • MW: 241.217 | Formula: C14H8FNO2
  • H donors: 0 H acceptors: 2 LogP: 2.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc2c(c1)c(on2)c1ccc(cc1)F
  • InChi: 1S/C14H8FNO2/c15-11-4-2-10(3-5-11)14-12-7-9(8-17)1-6-13(12)16-18-14/h1-8H
  • InChiKey: CLSSGBGDXLYJRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxaldehyde
  • 3-(4-fluorophenyl)anthranil-5-carbaldehyde
  • ZINC01407012
  • 1T-0293
  • Oprea1_681530
  • 3-(4-fluorophenyl)-2,1-benzisoxazole-5-carbaldehyde
  • MLS000541253
  • SMR000126111

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0298 0.0563
Schistosoma mansoni ap endonuclease 0.0038 0.0664 0.0664
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0071 0.0134
Schistosoma mansoni DNA ligase IV 0.0012 0.0039 0.0039
Echinococcus granulosus zinc finger protein 0.0043 0.0781 0.0781
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0664 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0127 0.0127
Echinococcus granulosus muscleblind protein 0.018 0.404 0.404
Schistosoma mansoni hypothetical protein 0.0018 0.018 0.018
Schistosoma mansoni topbp1 0.0012 0.0039 0.0039
Brugia malayi Muscleblind-like protein 0.018 0.404 0.8708
Loa Loa (eye worm) hypothetical protein 0.0012 0.0042 0.0007
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.067 0.1374
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0947 0.1976
Echinococcus granulosus histone lysine methyltransferase setb 0.0065 0.1305 0.1305
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.0753 0.1553
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0947 0.1976
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1019 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.018 0.0306
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0039 0.0408
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.018 0.018
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0664 0.1361
Echinococcus granulosus methyl CpG binding domain protein 2 0.0035 0.058 0.058
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.2957 0.6351
Trichomonas vaginalis set domain proteins, putative 0.0234 0.5303 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0039 0.0074
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0211 0.0374
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.0039 0.059
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0035 0.058 0.058
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.1491 0.1491
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.0924 0.0924
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0426 0.0426
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0323 0.0323
Schistosoma mansoni cpg binding protein 0.0066 0.1314 0.1314
Schistosoma mansoni myst-related protein 0.0011 0.0013 0.0013
Brugia malayi CXXC zinc finger family protein 0.0058 0.1143 0.2402
Brugia malayi Latrophilin receptor protein 2 0.0018 0.018 0.0306
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.1019 1
Leishmania major hypothetical protein, conserved 0.0053 0.1019 1
Schistosoma mansoni hypothetical protein 0.0024 0.0323 0.0323
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.018 0.018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0947 0.0947
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0211 0.0211
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0664 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.1305 0.1305
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0071 0.0134
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Schistosoma mansoni cpg binding protein 0.0058 0.1143 0.1143
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0664 0.6378
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0065 0.1305 0.1305
Schistosoma mansoni myst-related protein 0.0011 0.0013 0.0013
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.058 0.058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0947 0.0947
Toxoplasma gondii exonuclease III APE 0.0038 0.0664 0.2518
Brugia malayi Bromodomain containing protein 0.0078 0.1605 0.3408
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0664 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Brugia malayi PHD-finger family protein 0.0054 0.1038 0.2174
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.0924 0.0924
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.0039 0.0264
Loa Loa (eye worm) hypothetical protein 0.0053 0.1019 0.2134
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0071 0.0134
Brugia malayi Bromodomain containing protein 0.0156 0.3455 0.7435
Echinococcus granulosus nibrin 0.0012 0.0039 0.0039
Trypanosoma brucei ISWI complex protein 0.0031 0.0495 0.4651
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0039 0.0039
Schistosoma mansoni bromodomain containing protein 0.0012 0.0042 0.0042
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0127 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1093 0.2294
Schistosoma mansoni hypothetical protein 0.0038 0.067 0.067
Loa Loa (eye worm) hypothetical protein 0.0083 0.1723 0.3664
Entamoeba histolytica hypothetical protein 0.0012 0.0039 0.0408
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0664 0.6474
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1019 1
Trichomonas vaginalis helicase, putative 0.0013 0.0071 0.0134
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.4633 1
Onchocerca volvulus 0.0058 0.1143 0.2096
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0039 0.0074
Plasmodium vivax SET domain protein, putative 0.0031 0.0482 0.452
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.1491 0.1491
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.018 0.0306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1093 0.2294
Schistosoma mansoni hypothetical protein 0.0031 0.0495 0.0495
Schistosoma mansoni hypothetical protein 0.0018 0.018 0.018
Schistosoma mansoni topbp1 0.0012 0.0039 0.0039
Onchocerca volvulus 0.0031 0.0482 0.0842
Brugia malayi hypothetical protein 0.0034 0.0572 0.116
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0664 0.1361
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0664 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0039 0.0074
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.1019 0.3948
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.0039 0.0074
Echinococcus granulosus cpg binding protein 0.0066 0.1314 0.1314
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.0039 0.059
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.1305 0.1305
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.018 0.018
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0664 0.1253
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0664 0.6378
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0664 0.6378
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0071 0.0134
Trypanosoma cruzi ISWI complex protein 0.0031 0.0495 0.4651
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0071 0.0134
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0127 0.0127
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0664 0.1253
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.2522 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0482 0.0482
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0482 0.0482
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0125 0.2717 0.2717
Schistosoma mansoni hypothetical protein 0.0018 0.018 0.018
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.1019 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0039 0.0039
Schistosoma mansoni cpg binding protein 0.0066 0.1314 0.1314
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1093 0.2294
Schistosoma mansoni zinc finger protein 0.0043 0.0781 0.0781
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0664 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.0039 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0127 0.0127
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.0924 0.0924
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0664 0.0664
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0074
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.058 0.058
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.018 0.0306
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0039 0.0074
Loa Loa (eye worm) hypothetical protein 0.0065 0.1305 0.2756
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0664 0.0664
Schistosoma mansoni bromodomain containing protein 0.0132 0.2889 0.2889
Schistosoma mansoni zinc finger protein 0.0031 0.0495 0.0495
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0125 0.2717 0.2717
Onchocerca volvulus 0.0234 0.5303 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0211 0.0211
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0144 0.3169 0.6814
Echinococcus multilocularis zinc finger protein 0.0043 0.0781 0.0781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0947 0.0947
Echinococcus granulosus GPCR family 2 0.0018 0.018 0.018
Echinococcus multilocularis GPCR, family 2 0.0018 0.018 0.018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0071 0.0134
Trypanosoma cruzi ISWI complex protein 0.0031 0.0495 0.4651
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0609 0.1241
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.2957 0.6351
Brugia malayi hypothetical protein 0.0053 0.1019 0.2134
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.1143 0.2402
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.2722 0.2722
Loa Loa (eye worm) hypothetical protein 0.018 0.404 0.8708
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0071 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0482 0.0482
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1019 1
Chlamydia trachomatis DNA ligase 0.0012 0.0039 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0127 0.0127
Brugia malayi Pre-SET motif family protein 0.0031 0.0482 0.0965
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0947 0.0947
Echinococcus multilocularis cpg binding protein 0.0066 0.1314 0.1314
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.018 0.018
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0482 0.1785
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0323 0.0323
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0074
Echinococcus multilocularis muscleblind protein 0.018 0.404 0.404
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0071 0.0134
Brugia malayi Pre-SET motif family protein 0.0205 0.4633 1
Echinococcus multilocularis nibrin 0.0012 0.0039 0.0039
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0664 0.6378
Brugia malayi MH2 domain containing protein 0.0135 0.2957 0.6351
Loa Loa (eye worm) hypothetical protein 0.009 0.1894 0.4037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0947 0.0947
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0664 1
Schistosoma mansoni hypothetical protein 0.0042 0.0753 0.0753
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0947 0.0947
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0074
Loa Loa (eye worm) hypothetical protein 0.0056 0.1093 0.2294
Treponema pallidum DNA ligase (lig) 0.0012 0.0039 0.059
Schistosoma mansoni ap endonuclease 0.0038 0.0664 0.0664
Schistosoma mansoni hypothetical protein 0.0018 0.018 0.018
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1019 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.067 0.1374
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0664 0.3228
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0071 0.0134
Echinococcus multilocularis muscleblind protein 1 0.018 0.404 0.404
Loa Loa (eye worm) hypothetical protein 0.0078 0.1608 0.3416
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0947 0.0947
Loa Loa (eye worm) hypothetical protein 0.018 0.404 0.8708

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 69.5 um PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2). (Class of assay: confirmatory) [Related pubchem assays: 794, 727, 810 ] ChEMBL. No reference
Potency (binding) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 9.285 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) 10 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 32.609 uM PubChem BioAssay. qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.