Detailed information for compound 1413256

Basic information

Technical information
  • TDR Targets ID: 1413256
  • Name: (2S,3S)-2-(3-bromo-4-methoxyphenyl)-3-hydroxy -6-methoxychroman-4-one
  • MW: 379.202 | Formula: C17H15BrO5
  • H donors: 1 H acceptors: 2 LogP: 2.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)C(=O)[C@H]([C@@H](O2)c1ccc(c(c1)Br)OC)O
  • InChi: 1S/C17H15BrO5/c1-21-10-4-6-13-11(8-10)15(19)16(20)17(23-13)9-3-5-14(22-2)12(18)7-9/h3-8,16-17,20H,1-2H3/t16-,17+/m1/s1
  • InChiKey: LSFAWTODWZZGOF-SJORKVTESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3S)-2-(3-bromo-4-methoxy-phenyl)-3-hydroxy-6-methoxy-chroman-4-one
  • (2S,3S)-2-(3-bromo-4-methoxyphenyl)-3-hydroxy-6-methoxy-4-chromanone
  • SMR000113161
  • CMLDBU00003671
  • CMLD3_000004
  • MLS000438799

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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 braziliensis 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Schistosoma mansoni jumonji domain containing protein 0.0071 0.064 0.064
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0046 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0019 0.0001 0.0002
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.064 0.064
Toxoplasma gondii exonuclease III APE 0.0023 0.0046 1
Brugia malayi hypothetical protein 0.0148 0.1584 0.2249
Loa Loa (eye worm) hypothetical protein 0.0041 0.0273 0.0387
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0286 0.3274 0.4648
Loa Loa (eye worm) hypothetical protein 0.0148 0.1584 0.2249
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0507 0.0719
Loa Loa (eye worm) RNA binding protein 0.0076 0.0707 0.1003
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.064 0.064
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0046 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0046 0.0066
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.064 0.064
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0273 0.0387
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3274 0.3274
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0046 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0707 0.1003
Brugia malayi RNA binding protein 0.0076 0.0707 0.1003
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0046 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0507 0.0719
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0707 0.0707
Brugia malayi jmjC domain containing protein 0.0071 0.064 0.0908
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0046 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0707 0.0707
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0046 1
Schistosoma mansoni hypothetical protein 0.0593 0.7044 0.7044
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0707 0.0707
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0046 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1584 1
Schistosoma mansoni hypothetical protein 0.0205 0.228 0.228
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0046 0.0066
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0046 1
Echinococcus granulosus GPCR family 2 0.0019 0.0001 0.0001
Echinococcus granulosus tar DNA binding protein 0.0076 0.0707 0.0707
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0593 0.7044 0.7044
Schistosoma mansoni hypothetical protein 0.0205 0.228 0.228
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0001 0.0001
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.064 0.064
Schistosoma mansoni hypothetical protein 0.0593 0.7044 0.7044
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0046 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0001 0.0001
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0707 0.0707
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.064 0.0908
Loa Loa (eye worm) hypothetical protein 0.0148 0.1584 0.2249
Onchocerca volvulus Huntingtin homolog 0.0148 0.1584 1
Schistosoma mansoni hypothetical protein 0.0041 0.0273 0.0273
Schistosoma mansoni survival motor neuron protein 0.0058 0.0483 0.0483
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0046 0.0046
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0707 0.1003
Echinococcus granulosus geminin 0.0205 0.228 0.228
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.064 0.064
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1538 0.2183
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0046 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.1538 0.2183
Brugia malayi jmjC domain containing protein 0.0071 0.064 0.0908
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Brugia malayi indoleamine 2,3-dioxygenase 0.0593 0.7044 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0001 0.0002
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0707 0.1003
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0001 0.0002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0483 0.0685
Echinococcus multilocularis geminin 0.0205 0.228 0.228
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0001 0.0002
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0046 0.5
Brugia malayi hypothetical protein 0.0286 0.3274 0.4648
Schistosoma mansoni hypothetical protein 0.0058 0.0483 0.0483
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0707 0.0707
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3274 0.3274
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0046 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.006 0.0507 0.0719
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0046 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0046 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0046 0.0046
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0593 0.7044 1
Schistosoma mansoni ap endonuclease 0.0023 0.0046 0.0046
Brugia malayi TAR-binding protein 0.0076 0.0707 0.1003
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1538 0.2183
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0593 0.7044 0.7044
Echinococcus multilocularis GPCR, family 2 0.0019 0.0001 0.0001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0507 0.0719
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.064 0.064

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 40 uM PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1966, AID2569] ChEMBL. No reference
IC50 (functional) = 34.59 um PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor. (Class of assay: confirmatory) [Related pubchem assays: 2569, 2521 ] ChEMBL. No reference
Potency (functional) 0.0794 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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) 3.6964 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 for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 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) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 23.1093 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 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
Potency (functional) 33.8078 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) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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