Detailed information for compound 1433977

Basic information

Technical information
  • TDR Targets ID: 1433977
  • Name: 1-(4-chloropyridin-2-yl)-3-(1-phenylethyl)pyr rolidine-2,5-dione
  • MW: 314.766 | Formula: C17H15ClN2O2
  • H donors: 0 H acceptors: 3 LogP: 2.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccnc(c1)N1C(=O)CC(C1=O)C(c1ccccc1)C
  • InChi: 1S/C17H15ClN2O2/c1-11(12-5-3-2-4-6-12)14-10-16(21)20(17(14)22)15-9-13(18)7-8-19-15/h2-9,11,14H,10H2,1H3
  • InChiKey: RXGOKSDHHDDTQM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chloro-2-pyridyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
  • 1-(4-chloro-2-pyridyl)-3-(1-phenylethyl)pyrrolidine-2,5-quinone
  • 1-(4-Chloro-pyridin-2-yl)-3-(1-phenyl-ethyl)-pyrrolidine-2,5-dione
  • MLS000762424
  • SMR000437974

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 geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Trichomonas vaginalis ap 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Toxoplasma gondii exonuclease III APE 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
Neospora caninum hypothetical protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Brugia malayi exodeoxyribonuclease III family 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Plasmodium yoelii putative AP endonuclease-related 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
Loa Loa (eye worm) 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma brucei gambiense 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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 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
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0057 0.0444 0.1584
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Onchocerca volvulus 0.0123 0.1499 1
Echinococcus granulosus nAChR subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Onchocerca volvulus 0.0057 0.0444 0.2964
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0123 0.1499 0.1499
Brugia malayi hypothetical protein 0.0057 0.0444 0.0444
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0325 0.4723 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0123 0.1499 0.1499
Mycobacterium leprae putative cytochrome p450 0.011 0.1302 0.5
Brugia malayi Cation transporter family protein 0.0123 0.1499 0.1499
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0123 0.1499 0.5344
Brugia malayi Cytochrome P450 family protein 0.0228 0.3183 0.3183
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0057 0.0444 0.0444
Brugia malayi hypothetical protein 0.0057 0.0444 0.0444
Brugia malayi cytochrome P450 0.011 0.1302 0.1302
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Brugia malayi excitatory GABA receptor EXP-1A 0.0123 0.1499 0.1499
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) cytochrome P450 family protein 0.0228 0.3183 0.3183
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0057 0.0444 0.1584
Onchocerca volvulus Putative nachr subunit 0.0123 0.1499 1
Brugia malayi Cytochrome P450 family protein 0.0228 0.3183 0.3183
Onchocerca volvulus 0.0066 0.0596 0.3976
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0057 0.0444 0.1584
Schistosoma mansoni hypothetical protein 0.0205 0.2805 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0444 0.0444
Schistosoma mansoni acetylcholine receptor-related 0.0057 0.0444 0.1584
Onchocerca volvulus 0.0123 0.1499 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Echinococcus granulosus glycine receptor subunit beta 0.0123 0.1499 0.5344
Echinococcus granulosus glycine receptor subunit alpha 1 0.0123 0.1499 0.5344
Brugia malayi Cation transporter family protein 0.0123 0.1499 0.1499
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0123 0.1499 0.5344
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Brugia malayi hypothetical protein 0.0057 0.0444 0.0444
Schistosoma mansoni lipoxygenase 0.0129 0.1599 0.5701
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0123 0.1499 0.1499
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Onchocerca volvulus 0.0123 0.1499 1
Loa Loa (eye worm) hypothetical protein 0.0599 0.9097 0.9097
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0057 0.0444 0.0444
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0123 0.1499 0.5344
Onchocerca volvulus 0.0057 0.0444 0.2964
Echinococcus multilocularis geminin 0.0205 0.2805 1
Echinococcus multilocularis nAChR subunit 0.0066 0.0596 0.2125
Schistosoma mansoni neurotransmitter gated ion channel 0.0066 0.0596 0.2125
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0123 0.1499 0.1499
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0066 0.0596 0.0596
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0444 0.0444
Echinococcus multilocularis glycine receptor subunit beta 0.0123 0.1499 0.5344
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Schistosoma mansoni nAChR subunit 0.0057 0.0444 0.1584
Entamoeba histolytica hypothetical protein 0.0066 0.0596 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0123 0.1499 0.1499
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0228 0.3183 0.5499
Schistosoma mansoni lipoxygenase 0.009 0.098 0.3494
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0123 0.1499 0.1499
Onchocerca volvulus 0.0123 0.1499 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0057 0.0444 0.1584
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0123 0.1499 0.5344
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) CYP4Cod1 0.0228 0.3183 0.3183
Trypanosoma cruzi cytochrome P450, putative 0.0228 0.3183 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0123 0.1499 0.5344
Echinococcus granulosus geminin 0.0205 0.2805 1
Loa Loa (eye worm) cytochrome P450 0.011 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Onchocerca volvulus 0.0123 0.1499 1
Loa Loa (eye worm) hypothetical protein 0.0656 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0057 0.0444 0.0444
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0118 0.1423 0.1423
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0123 0.1499 0.5344
Brugia malayi Cytochrome P450 family protein 0.011 0.1302 0.1302
Loa Loa (eye worm) cytochrome P450 family protein 0.0408 0.6047 0.6047
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0123 0.1499 0.1499
Schistosoma mansoni cytochrome P450 0.011 0.1302 0.464
Onchocerca volvulus 0.0066 0.0596 0.3976
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0066 0.0596 0.2125
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0123 0.1499 0.5344
Echinococcus granulosus glycine receptor subunit alpha 1 0.0123 0.1499 0.5344
Trypanosoma cruzi cytochrome P450, putative 0.0228 0.3183 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0057 0.0444 0.0444
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) ACC-1 protein 0.0123 0.1499 0.1499
Echinococcus multilocularis 0.011 0.1302 0.464
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Schistosoma mansoni hypothetical protein 0.011 0.1302 0.464
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0123 0.1499 0.5344
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0123 0.1499 0.5344
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0123 0.1499 0.1499
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0123 0.1499 0.5344
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0444 0.0444
Echinococcus multilocularis glycine receptor subunit beta 0.0123 0.1499 0.5344
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0129 0.1599 0.5701
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0123 0.1499 0.1499
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0123 0.1499 0.5344
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0123 0.1499 0.5344
Echinococcus granulosus nAChR subunit 0.0066 0.0596 0.2125
Loa Loa (eye worm) cytochrome P450 family protein 0.0228 0.3183 0.3183
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Echinococcus granulosus glycine receptor subunit alpha 1 0.0123 0.1499 0.5344
Brugia malayi hypothetical protein 0.0057 0.0444 0.0444
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0066 0.0596 0.0596
Loa Loa (eye worm) ACC-1 protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0123 0.1499 0.1499
Onchocerca volvulus 0.0057 0.0444 0.2964
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Schistosoma mansoni acetylcholine receptor subunit beta 0.0057 0.0444 0.1584
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0057 0.0444 0.0444
Trypanosoma brucei cytochrome P450, putative 0.0228 0.3183 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Brugia malayi hypothetical protein 0.0057 0.0444 0.0444
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0057 0.0444 0.1584
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Brugia malayi Cytochrome P450 family protein 0.0408 0.6047 0.6047
Echinococcus granulosus cytochrome P450 2K1 0.011 0.1302 0.464
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0129 0.1599 0.5701
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0123 0.1499 0.5344
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0123 0.1499 0.1499
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0302 0.4358 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0123 0.1499 0.5344
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0123 0.1499 0.1499
Loa Loa (eye worm) acetylcholine receptor protein 0.0057 0.0444 0.0444
Mycobacterium leprae Conserved hypothetical protein 0.011 0.1302 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0123 0.1499 0.1499
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0123 0.1499 0.1499
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0123 0.1499 0.5344
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Onchocerca volvulus 0.0123 0.1499 1
Echinococcus multilocularis nAChR subunit 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0066 0.0596 0.0596
Schistosoma mansoni hypothetical protein 0.0205 0.2805 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0123 0.1499 0.1499
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0066 0.0596 0.2125
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.0444 0.1584
Leishmania major cytochrome p450-like protein 0.0228 0.3183 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0123 0.1499 0.1499
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.0444 0.1584
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0066 0.0596 0.0596
Loa Loa (eye worm) LGC-31 protein 0.0123 0.1499 0.1499
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0123 0.1499 0.5344
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0066 0.0596 0.0596
Schistosoma mansoni nAChR subunit 0.0123 0.1499 0.5344
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0123 0.1499 0.1499
Toxoplasma gondii cytochrome p450 superfamily protein 0.011 0.1302 0.5
Schistosoma mansoni nAChR subunit 0.0057 0.0444 0.1584
Echinococcus granulosus glycine receptor subunit beta 0.0123 0.1499 0.5344
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444
Loa Loa (eye worm) GABA receptor subunit 0.0066 0.0596 0.0596
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0325 0.4723 1
Brugia malayi Cation transporter family protein 0.0123 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0444

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 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) 29.0929 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) = 89.1251 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) 89.1251 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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