Detailed information for compound 1417576

Basic information

Technical information
  • TDR Targets ID: 1417576
  • Name: N-(2,5-dimethylphenyl)-1-[(3-oxo-4H-1,4-benzo xazin-6-yl)sulfonyl]piperidine-4-carboxamide
  • MW: 443.516 | Formula: C22H25N3O5S
  • H donors: 2 H acceptors: 4 LogP: 2.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1COc2c(N1)cc(cc2)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(C)ccc1C
  • InChi: 1S/C22H25N3O5S/c1-14-3-4-15(2)18(11-14)24-22(27)16-7-9-25(10-8-16)31(28,29)17-5-6-20-19(12-17)23-21(26)13-30-20/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)
  • InChiKey: YAQQQBAJVYIBMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,5-dimethylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide
  • N-(2,5-dimethylphenyl)-1-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]isonipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
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
Cryptosporidium parvum conserved hypothetical protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Neospora caninum hypothetical 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
Trichomonas vaginalis ap endonuclease, putative 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi G-protein alpha subunit 0.001 0.0215 0.0082
Loa Loa (eye worm) hypothetical protein 0.001 0.0215 0.0082
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.001 0.0215 0.0082
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0134 0.0134
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.3742 0.3657
Brugia malayi MH2 domain containing protein 0.0117 0.5033 0.4966
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5519 0.5519
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.0799 0.0799
Loa Loa (eye worm) hypothetical protein 0.001 0.0215 0.0082
Echinococcus granulosus tar DNA binding protein 0.0127 0.5519 0.5458
Schistosoma mansoni Smad4 0.0008 0.0134 0.0134
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1338 0.122
Echinococcus granulosus cpg binding protein 0.0037 0.1427 0.1311
Echinococcus granulosus guanine nucleotide binding protein G protein 0.001 0.0215 0.0082
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0259 0.0127
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0799 0.0674
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0227 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.309 0.309
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5519 0.5519
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.1142 0.1166
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.001 0.0215 0.0082
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.001 0.0215 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 1 1
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.001 0.0215 0.1273
Brugia malayi hypothetical protein 0.003 0.1111 0.099
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1111 1
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.001 0.0215 0.0082
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.001 0.0215 0.0215
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2736 0.6582
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.5519 0.5458
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.3742 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 1
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.5519 0.5458
Brugia malayi hypothetical protein 0.0019 0.0638 0.0511
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0375 0.0244
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1111 0.106
Schistosoma mansoni hypothetical protein 0.0013 0.0375 0.0375
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1111 0.106
Schistosoma mansoni GTP-binding protein alpha subunit 0.001 0.0215 0.0215
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.001 0.0215 0.0215
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0164 0.003
Echinococcus granulosus guanine nucleotide binding protein G protein 0.001 0.0215 0.0082
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.001 0.0215 0.1273
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 0.5
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.001 0.0215 0.0082
Schistosoma mansoni smad 0.0008 0.0134 0.0134
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.001 0.0215 0.0215
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.001 0.0215 0.0082
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.001 0.0215 0.1273
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.001 0.0215 0.1273
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0799 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1111 0.106
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1111 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0215 0.0082
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0799 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.3742 0.3742
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.001 0.0215 0.0082
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.001 0.0215 0.0215
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.3742 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.001 0.0215 0.1273
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.001 0.0215 0.0215
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.001 0.0215 0.0082
Schistosoma mansoni cpg binding protein 0.0037 0.1427 0.1427
Loa Loa (eye worm) hypothetical protein 0.001 0.0215 0.0082
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.001 0.0215 0.0082
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.001 0.0215 0.0215
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.001 0.0215 0.0215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5519 0.5519
Loa Loa (eye worm) hypothetical protein 0.0088 0.3742 0.3657
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.001 0.0215 0.1273
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 1
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.001 0.0215 0.0082
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.001 0.0215 0.0215
Echinococcus multilocularis tar DNA binding protein 0.0127 0.5519 0.5458
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0164 0.003
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0164 0.003
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1111 1
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.2375 0.2272
Echinococcus granulosus expressed protein 0.001 0.0215 0.0082
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5519 0.5519
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.001 0.0215 0.0082
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5519 0.5519
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0799 0.5
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.001 0.0215 0.0082
Schistosoma mansoni cpg binding protein 0.0035 0.1338 0.1338
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0227 1 1
Brugia malayi RNA binding protein 0.0127 0.5519 0.5458
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0227 1 1
Toxoplasma gondii hypothetical protein 0.003 0.1142 0.1166
Schistosoma mansoni smad1 5 8 and 0.0008 0.0134 0.0134
Loa Loa (eye worm) G protein alpha subunit 3 0.001 0.0215 0.0082
Schistosoma mansoni cpg binding protein 0.0037 0.1427 0.1427
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.001 0.0215 0.0082
Echinococcus granulosus guanine nucleotide binding protein subunit 0.001 0.0215 0.0082
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0375 0.0244
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.5033 0.4966
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.001 0.0215 0.0215
Loa Loa (eye worm) TAR-binding protein 0.0127 0.5519 0.5458
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0799 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1111 0.099
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.3742 1
Brugia malayi TAR-binding protein 0.0127 0.5519 0.5458
Schistosoma mansoni ap endonuclease 0.0023 0.0799 0.0799
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.5033 0.4966
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.3742 1
Onchocerca volvulus 0.0035 0.1338 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.2375 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.001 0.0215 0.0082
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.3742 0.3657
Schistosoma mansoni smad1 5 8 and 0.0008 0.0134 0.0134
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.001 0.0215 0.0215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0227 1 1
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.001 0.0215 0.0082
Echinococcus multilocularis cpg binding protein 0.0037 0.1427 0.1311
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0164 0.0164
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.2375 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1111 0.106
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0799 0.0674
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0259 0.0127
Echinococcus multilocularis expressed protein 0.001 0.0215 0.0082
Leishmania major hypothetical protein, conserved 0.003 0.1111 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.2375 0.2272
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.001 0.0215 0.0082
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.001 0.0215 0.0082
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.2375 0.4744
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0227 1 1
Loa Loa (eye worm) RNA binding protein 0.0127 0.5519 0.5458
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0799 0.0674
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.001 0.0215 0.1273
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.3742 1
Schistosoma mansoni trimeric G-protein alpha o subunit 0.001 0.0215 0.0215
Brugia malayi Probable ClpP-like protease 0.0088 0.3742 0.3657
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.001 0.0215 0.0082
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.001 0.0215 0.0082
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0253 0.0121
Schistosoma mansoni smad1 5 8 and 0.0008 0.0134 0.0134
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.1142 0.1166
Brugia malayi CXXC zinc finger family protein 0.0035 0.1338 0.122
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.001 0.0215 0.0082
Schistosoma mansoni GTP-binding protein alpha subunit 0.001 0.0215 0.0215
Brugia malayi hypothetical protein 0.001 0.0215 0.0082
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0799 0.0674
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.001 0.0215 0.1273
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0164 0.003
Loa Loa (eye worm) hypothetical protein 0.001 0.0215 0.0082
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0259 0.0127
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.1142 0.1166

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0299 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2332 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) = 15.8489 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) 25.929 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 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) 100 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) 125.8925 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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