Detailed information for compound 1534045

Basic information

Technical information
  • TDR Targets ID: 1534045
  • Name: N-cyclohexyl-N-methyl-2-(1,1,3-trioxo-1,2-ben zothiazol-2-yl)acetamide
  • MW: 336.406 | Formula: C16H20N2O4S
  • H donors: 0 H acceptors: 4 LogP: 1.93 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CCCCC1)C)CN1C(=O)c2c(S1(=O)=O)cccc2
  • InChi: 1S/C16H20N2O4S/c1-17(12-7-3-2-4-8-12)15(19)11-18-16(20)13-9-5-6-10-14(13)23(18,21)22/h5-6,9-10,12H,2-4,7-8,11H2,1H3
  • InChiKey: YFLVNHDLCWUDCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-N-methyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide
  • N-cyclohexyl-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanamide
  • STOCK6S-00492
  • Oprea1_580264
  • ZINC02642352

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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 mansoni ap endonuclease 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
Schistosoma japonicum ko:K10772 AP endonuclease 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
Theileria parva hypothetical 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma congolense 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum 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
Leishmania major 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 infantum apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) 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
Entamoeba histolytica exodeoxyribonuclease III, 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
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 tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax hypothetical protein, conserved 0.0349 0.1499 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0101 0.0263 0.0232
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0101 0.0263 0.0263
Schistosoma mansoni hypothetical protein 0.0202 0.0764 0.0764
Loa Loa (eye worm) hypothetical protein 0.2058 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0349 0.1499 0.1499
Loa Loa (eye worm) LGC-31 protein 0.0101 0.0263 0.0263
Echinococcus granulosus mitogen activated protein kinase 3 0.0061 0.0062 0.0031
Onchocerca volvulus 0.0101 0.0263 0.0232
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0101 0.0263 0.0232
Plasmodium falciparum amino acid transporter, putative 0.0349 0.1499 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Echinococcus multilocularis serotonin transporter 0.2058 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0101 0.0263 0.0232
Brugia malayi MAP kinase sur-1 0.0061 0.0062 0.0031
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0244 0.0975 0.0947
Echinococcus granulosus serotonin transporter 0.2058 1 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0101 0.0263 0.0263
Echinococcus multilocularis integrin alpha ps 0.0093 0.0221 0.019
Echinococcus granulosus mitogen activated protein kinase 0.0061 0.0062 0.0031
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.012 0.0359 0.0359
Schistosoma mansoni sodium/chloride dependent transporter 0.2058 1 1
Onchocerca volvulus 0.0349 0.1499 0.1472
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0101 0.0263 0.0232
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0101 0.0263 0.0232
Brugia malayi hypothetical protein 0.0349 0.1499 0.1472
Echinococcus multilocularis sodium and chloride dependent glycine 0.0349 0.1499 0.1472
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0101 0.0263 0.0232
Echinococcus multilocularis mitogen activated protein kinase 0.0061 0.0062 0.0031
Plasmodium falciparum transporter, putative 0.0349 0.1499 0.5
Loa Loa (eye worm) ACC-1 protein 0.0101 0.0263 0.0263
Onchocerca volvulus 0.0101 0.0263 0.0232
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0244 0.0975 0.0947
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0101 0.0263 0.0232
Entamoeba histolytica hypothetical protein 0.0054 0.0031 0.5
Echinococcus granulosus integrin alpha 3 0.0158 0.0547 0.0518
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0359 0.0359
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0349 0.1499 0.1499
Brugia malayi Integrin alpha pat-2 precursor 0.0206 0.0787 0.0758
Onchocerca volvulus 0.0101 0.0263 0.0232
Schistosoma mansoni hypothetical protein 0.0202 0.0764 0.0764
Loa Loa (eye worm) norepinephrine transporter 0.2058 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Echinococcus multilocularis glycine receptor subunit beta 0.0101 0.0263 0.0232
Toxoplasma gondii hypothetical protein 0.0349 0.1499 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0244 0.0975 0.0947
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0101 0.0263 0.0232
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0244 0.0975 0.0947
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0349 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0101 0.0263 0.0232
Onchocerca volvulus 0.0101 0.0263 0.0232
Schistosoma mansoni hypothetical protein 0.0082 0.017 0.017
Echinococcus granulosus glycine receptor subunit alpha 1 0.0101 0.0263 0.0232
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Schistosoma mansoni integrin alpha-ps 0.0093 0.0221 0.0221
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0101 0.0263 0.0263
Echinococcus granulosus integrin alpha ps 0.0093 0.0221 0.019
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0061 0.0062 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0062 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0101 0.0263 0.0232
Echinococcus granulosus glycine receptor subunit alpha 1 0.0101 0.0263 0.0232
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0101 0.0263 0.0263
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0349 0.1499 0.1472
Echinococcus multilocularis tumor protein p63 0.0408 0.179 0.1765
Echinococcus multilocularis integrin alpha 3 0.0158 0.0547 0.0518
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2058 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0244 0.0975 0.0947
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0349 0.1499 0.1499
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0349 0.1499 0.1472
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0101 0.0263 0.0232
Schistosoma mansoni sodium/chloride dependent transporter 0.0349 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Onchocerca volvulus 0.0101 0.0263 0.0232
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0101 0.0263 0.0232
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0244 0.0975 0.0947
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0101 0.0263 0.0232
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0101 0.0263 0.0232
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0349 0.1499 1
Onchocerca volvulus 0.2058 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0349 0.1499 0.1472
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0162 0.0566 0.0566
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0054 0.0031 0.0031
Echinococcus multilocularis integrin alpha ps 0.0093 0.0221 0.019
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0061 0.0062 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0101 0.0263 0.0232
Echinococcus granulosus sodium and chloride dependent glycine 0.0349 0.1499 0.1472
Plasmodium vivax amine transporter, putative 0.0349 0.1499 0.5
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0349 0.1499 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0349 0.1499 1
Brugia malayi Cation transporter family protein 0.0101 0.0263 0.0232
Loa Loa (eye worm) hypothetical protein 0.2058 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0349 0.1499 0.1472
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0101 0.0263 0.0232
Echinococcus granulosus glycine receptor subunit beta 0.0101 0.0263 0.0232
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0349 0.1499 0.1472
Loa Loa (eye worm) hypothetical protein 0.006 0.0058 0.0058
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0101 0.0263 0.0232
Giardia lamblia Kinase, CMGC MAPK 0.0061 0.0062 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0349 0.1499 0.1499
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0359 0.0329
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0061 0.0062 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0101 0.0263 0.0232
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0101 0.0263 0.0232
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0101 0.0263 0.0232
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0349 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0054 0.0031 0.0031
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4632 0.4615
Toxoplasma gondii hypothetical protein 0.0349 0.1499 1
Echinococcus granulosus glycine receptor subunit beta 0.0101 0.0263 0.0232
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0101 0.0263 0.0232
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0101 0.0263 0.0232
Loa Loa (eye worm) integrin alpha pat-2 0.0206 0.0787 0.0787
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0244 0.0975 0.0947
Loa Loa (eye worm) hypothetical protein 0.0082 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Brugia malayi excitatory GABA receptor EXP-1A 0.0101 0.0263 0.0232
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Schistosoma mansoni sodium/chloride dependent transporter 0.035 0.1501 0.1501
Echinococcus multilocularis nAChR subunit 0.0101 0.0263 0.0232
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0062 0.0062
Onchocerca volvulus Putative nachr subunit 0.0244 0.0975 0.0947
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Treponema pallidum sodium- and chloride- dependent transporter 0.2058 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.017 0.0139
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Loa Loa (eye worm) ACC-1 protein 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0101 0.0263 0.0232
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0061 0.0062 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0101 0.0263 0.0232
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0349 0.1499 0.1499
Brugia malayi Cation transporter family protein 0.0101 0.0263 0.0232
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0101 0.0263 0.0263
Brugia malayi Cation transporter family protein 0.0101 0.0263 0.0232
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0101 0.0263 0.0263
Echinococcus multilocularis sodium and chloride dependent glycine 0.0349 0.1499 0.1472
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0349 0.1499 0.5
Onchocerca volvulus 0.0349 0.1499 0.1472
Echinococcus multilocularis geminin 0.0202 0.0764 0.0736
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0349 0.1499 0.1499
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0101 0.0263 0.0263
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0101 0.0263 0.0232
Echinococcus granulosus nAChR subunit 0.0101 0.0263 0.0232
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0062 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0101 0.0263 0.0232
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0101 0.0263 0.0263
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0062 0.5
Loa Loa (eye worm) serotonin transporter b 0.2058 1 1
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0349 0.1499 0.1472
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0061 0.0062 0.5
Onchocerca volvulus 0.006 0.0058 0.0027
Loa Loa (eye worm) hypothetical protein 0.0244 0.0975 0.0975
Loa Loa (eye worm) hypothetical protein 0.0349 0.1499 0.1499
Onchocerca volvulus 0.0349 0.1499 0.1472
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0062 0.5
Loa Loa (eye worm) hypothetical protein 0.2058 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Onchocerca volvulus 0.0101 0.0263 0.0232
Loa Loa (eye worm) hypothetical protein 0.0114 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0101 0.0263 0.0263
Echinococcus granulosus geminin 0.0202 0.0764 0.0736
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0349 0.1499 0.1472
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0101 0.0263 0.0232
Schistosoma mansoni neurotransmitter gated ion channel 0.0054 0.0031 0.0031
Trypanosoma brucei protein kinase, putative 0.0061 0.0062 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0349 0.1499 0.1472
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0349 0.1499 0.1499
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0349 0.1499 0.1472
Echinococcus granulosus sodium and chloride dependent glycine 0.0349 0.1499 0.1472
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0349 0.1499 0.1472
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0349 0.1499 0.1499
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0061 0.0062 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0061 0.0062 0.0031
Loa Loa (eye worm) GABA receptor subunit 0.0054 0.0031 0.0031
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0349 0.1499 0.1472
Loa Loa (eye worm) hypothetical protein 0.0054 0.0031 0.0031
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0061 0.0062 0.5
Echinococcus granulosus tumor protein p63 0.0408 0.179 0.1765
Loa Loa (eye worm) solute carrier family 6 member 4 0.2058 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0349 0.1499 0.1499
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0101 0.0263 0.0232
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.0918 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0061 0.0062 0.0062
Echinococcus multilocularis glycine receptor subunit beta 0.0101 0.0263 0.0232
Schistosoma mansoni nAChR subunit 0.0101 0.0263 0.0263
Schistosoma mansoni integrin alpha 0.0206 0.0787 0.0787
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0359 0.0329
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0244 0.0975 0.0975

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0024 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.1749 uM PubChem BioAssay. qHTS for small molecules that induce genotoxicity in ELG1 expressing cells: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 14.575 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) 18.3489 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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