Detailed information for compound 1323091

Basic information

Technical information
  • TDR Targets ID: 1323091
  • Name: (3aR,5aR,8R,9S,9aS,9bR)-2-(2,4-difluorophenyl )-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro- 3aH-benzo[e]isoindole-1,3,6-trione
  • MW: 365.328 | Formula: C18H17F2NO5
  • H donors: 2 H acceptors: 5 LogP: -0.03 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1[C@H](O)[C@H](O)CC(=O)[C@@H]1CC2
  • InChi: 1S/C18H17F2NO5/c19-7-1-4-11(10(20)5-7)21-17(25)9-3-2-8-12(22)6-13(23)16(24)14(8)15(9)18(21)26/h1,4-5,8-9,13-16,23-24H,2-3,6H2/t8-,9+,13+,14-,15-,16+/m0/s1
  • InChiKey: JACJBRWWWHWFPM-ATALGMRGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ap endonuclease 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi exonuclease III 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:K10771 AP endonuclease 1, 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
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica exodeoxyribonuclease III, 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0092 0.0821 0.2154
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0092 0.0821 0.2154
Echinococcus granulosus glycine receptor subunit alpha 1 0.0092 0.0821 0.2154
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0378 0.0835
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) LGC-31 protein 0.0092 0.0821 0.0821
Schistosoma mansoni hypothetical protein 0.0055 0.0289 0.3527
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0269 0.3409 0.315
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi Cation transporter family protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0449 0.6038 0.6038
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0092 0.0821 0.0821
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0241 0.0241
Brugia malayi MAP kinase sur-1 0.0062 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Brugia malayi hypothetical protein 0.0042 0.0098 0.0098
Echinococcus granulosus glycine receptor subunit alpha 1 0.0092 0.0821 0.2154
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0378 0.0835
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0092 0.0821 0.0821
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0092 0.0821 0.2154
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0385 0.0856
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.042 0.0959
Schistosoma mansoni neurotransmitter gated ion channel 0.0042 0.0098 0.1191
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0092 0.0821 0.0821
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0092 0.0821 0.0821
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.0202 0.0202
Schistosoma mansoni nAChR subunit 0.0042 0.0098 0.1191
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.0821 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0092 0.0821 0.2154
Leishmania major hypothetical protein, conserved 0.0269 0.3409 0.315
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0378 0.0835
Loa Loa (eye worm) acetylcholine receptor protein 0.0042 0.0098 0.0098
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0092 0.0821 0.2154
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Schistosoma mansoni survival motor neuron protein 0.0055 0.0289 0.3527
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0092 0.0821 0.2154
Schistosoma mansoni acetylcholine receptor-related 0.0042 0.0098 0.1191
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0092 0.0821 0.0821
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.0821 0.0821
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.3453 1
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0269 0.3409 0.315
Onchocerca volvulus Huntingtin homolog 0.0123 0.1281 0.1728
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.042 0.042
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0092 0.0821 0.0821
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0092 0.0821 0.0821
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0042 0.0098 0.0098
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0052 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi Cation transporter family protein 0.0092 0.0821 0.0821
Onchocerca volvulus 0.0055 0.0289 0.028
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0092 0.0821 0.2154
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.042 0.0959
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0289 0.0289
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) ACC-1 protein 0.0092 0.0821 0.0821
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.3453 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.042 0.0959
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.0821 0.0821
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0049 0.0202 0.2457
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0092 0.0821 1
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Brugia malayi hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) GABA receptor subunit 0.0049 0.0202 0.0202
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0092 0.0821 0.2154
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0042 0.0098 0.0098
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.042 1
Brugia malayi hypothetical protein 0.0272 0.3453 0.3453
Schistosoma mansoni neurotransmitter gated ion channel 0.0042 0.0098 0.1191
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0092 0.0821 0.2154
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0092 0.0821 0.2154
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.042 0.5112
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi hypothetical protein 0.0042 0.0098 0.0098
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.0821 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.0098 0.0098
Brugia malayi hypothetical protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Brugia malayi hypothetical protein 0.0123 0.1281 0.1281
Trypanosoma brucei Emopamil binding protein, putative 0.0269 0.3409 0.315
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0049 0.0202 0.2457
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0378 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0272 0.3453 0.3453
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0092 0.0821 0.2154
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Brugia malayi Pre-SET motif family protein 0.0064 0.042 0.042
Schistosoma mansoni neurotransmitter gated ion channel 0.0049 0.0202 0.2457
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.0821 0.0821
Onchocerca volvulus 0.0269 0.3409 0.4837
Leishmania major C-8 sterol isomerase-like protein 0.072 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1281 0.1281
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.0821 0.0821
Echinococcus granulosus nAChR subunit 0.0092 0.0821 0.2154
Echinococcus multilocularis nAChR subunit 0.0092 0.0821 0.2154
Onchocerca volvulus 0.0049 0.0202 0.0152
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0092 0.0821 0.0821
Schistosoma mansoni nAChR subunit 0.0042 0.0098 0.1191
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0092 0.0821 0.0821
Onchocerca volvulus 0.0092 0.0821 0.1056
Trichomonas vaginalis set domain proteins, putative 0.0511 0.6944 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0092 0.0821 0.2154
Brugia malayi excitatory GABA receptor EXP-1A 0.0092 0.0821 0.0821
Trypanosoma cruzi Emopamil binding protein, putative 0.0269 0.3409 0.315
Entamoeba histolytica hypothetical protein 0.0049 0.0202 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0092 0.0821 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.042 0.5112
Loa Loa (eye worm) hypothetical protein 0.0368 0.4856 0.4856
Brugia malayi Cation transporter family protein 0.0092 0.0821 0.0821
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0042 0.0098 0.0098
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0092 0.0821 0.2154
Onchocerca volvulus 0.0049 0.0202 0.0152
Brugia malayi Pre-SET motif family protein 0.0449 0.6038 0.6038
Trypanosoma brucei C-8 sterol isomerase, putative 0.072 1 1
Loa Loa (eye worm) hypothetical protein 0.072 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0092 0.0821 0.2154
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0049 0.0202 0.0202
Loa Loa (eye worm) ACC-1 protein 0.0092 0.0821 0.0821
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.0821 0.0821
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Onchocerca volvulus 0.0064 0.042 0.047
Loa Loa (eye worm) hypothetical protein 0.0092 0.0821 0.0821
Onchocerca volvulus 0.0092 0.0821 0.1056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.042 0.5112
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0049 0.0202 0.0202
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0092 0.0821 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0092 0.0821 0.0821
Brugia malayi hypothetical protein 0.0042 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0042 0.0098 0.0098
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0092 0.0821 0.2154
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0092 0.0821 0.0821
Schistosoma mansoni nAChR subunit 0.0092 0.0821 1
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0042 0.0098 0.0098
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0092 0.0821 0.2154
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.0821 1
Echinococcus granulosus glycine receptor subunit beta 0.0092 0.0821 0.2154
Onchocerca volvulus 0.0092 0.0821 0.1056
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0378 0.0835
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0092 0.0821 0.2154
Trypanosoma cruzi Emopamil binding protein, putative 0.0269 0.3409 0.315
Onchocerca volvulus Huntingtin homolog 0.0123 0.1281 0.1728
Echinococcus multilocularis glycine receptor subunit beta 0.0092 0.0821 0.2154
Echinococcus multilocularis nAChR subunit 0.0049 0.0202 0.031
Trypanosoma cruzi C-8 sterol isomerase, putative 0.072 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1281 0.1281
Echinococcus granulosus glycine receptor subunit beta 0.0092 0.0821 0.2154
Onchocerca volvulus 0.0092 0.0821 0.1056
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0092 0.0821 0.2154
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0269 0.3409 0.315
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Onchocerca volvulus 0.0092 0.0821 0.1056
Onchocerca volvulus Putative nachr subunit 0.0092 0.0821 0.1056
Echinococcus multilocularis glycine receptor subunit beta 0.0092 0.0821 0.2154
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0092 0.0821 0.2154
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.042 0.5112
Onchocerca volvulus 0.0092 0.0821 0.1056
Echinococcus granulosus nAChR subunit 0.0049 0.0202 0.031
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0378 0.4606
Schistosoma mansoni acetylcholine receptor subunit beta 0.0042 0.0098 0.1191
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0378 0.0378
Plasmodium vivax SET domain protein, putative 0.0064 0.042 0.5
Onchocerca volvulus 0.0511 0.6944 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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