Detailed information for compound 518578

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 239.721 | Formula: C12H16ClN2O-
  • H donors: 1 H acceptors: 1 LogP: 1.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC1(/C=C\COc2cccnc2)CC1.[Cl-]
  • InChi: 1S/C12H16N2O.ClH/c1-13-12(6-7-12)5-3-9-15-11-4-2-8-14-10-11;/h2-5,8,10,13H,6-7,9H2,1H3;1H/p-1/b5-3-;
  • InChiKey: ANCBPMUMDMXLNT-FBZPGIPVSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0769 0.2766 1
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0159 0.0445 0.0671
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Mycobacterium tuberculosis Hypothetical protein 0.0159 0.0445 0.161
Schistosoma mansoni neurotransmitter gated ion channel 0.0312 0.1026 0.3709
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0728 0.2611 0.9439
Brugia malayi Cation transporter family protein 0.0728 0.2611 0.3104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0207 0.0748
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0643 0.2286 0.8263
Trichomonas vaginalis thymidine kinase, putative 0.0245 0.077 0.2784
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Brugia malayi Cation transporter family protein 0.0643 0.2286 0.2717
Brugia malayi jmjC domain containing protein 0.0255 0.0809 0.0962
Trichomonas vaginalis set domain proteins, putative 0.0484 0.1683 0.6083
Schistosoma mansoni gabp alpha 0.0071 0.0111 0.0402
Brugia malayi Calcitonin receptor-like protein seb-1 0.0215 0.0658 0.0782
Echinococcus multilocularis short transient receptor potential channel 6 0.0137 0.0362 0.1309
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0643 0.2286 0.8263
Echinococcus multilocularis uridine phosphorylase 1 0.0159 0.0445 0.161
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.0314 0.1135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0207 0.0246
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0331 0.1099 0.1306
Brugia malayi hypothetical protein 0.0312 0.1026 0.122
Leishmania major methylthioadenosine phosphorylase, putative 0.0159 0.0445 0.3904
Loa Loa (eye worm) hypothetical protein 0.061 0.216 0.216
Brugia malayi hypothetical protein 0.0312 0.1026 0.122
Loa Loa (eye worm) hypothetical protein 0.0208 0.063 0.063
Loa Loa (eye worm) hypothetical protein 0.0416 0.1424 0.1424
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Toxoplasma gondii Purine nucleoside phosphorylase 0.0159 0.0445 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0769 0.2766 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0159 0.0445 0.2177
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0159 0.0445 0.2177
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0643 0.2286 0.2717
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0162 0.0455 0.399
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0044 0.0052
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0643 0.2286 0.2717
Echinococcus multilocularis nAChR subunit 0.0331 0.1099 0.3972
Brugia malayi hypothetical protein 0.0312 0.1026 0.122
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0643 0.2286 0.2286
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.058 0.2046 1
Echinococcus granulosus short transient receptor potential channel 6 0.0137 0.0362 0.1309
Loa Loa (eye worm) GABA receptor subunit 0.0331 0.1099 0.1099
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0342 0.114 1
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Treponema pallidum pfs protein (pfs) 0.0159 0.0445 0.2177
Loa Loa (eye worm) hypothetical protein 0.0728 0.2611 0.2611
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0098 0.0117
Echinococcus multilocularis peregrin 0.006 0.0067 0.0243
Echinococcus granulosus PHD finger protein rhinoceros 0.006 0.0067 0.0243
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Chlamydia trachomatis AMP nucleosidase 0.0159 0.0445 0.5
Schistosoma mansoni hypothetical protein 0.0147 0.0399 0.1441
Loa Loa (eye worm) PHD-finger family protein 0.006 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0426 0.1459 0.1459
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0071 0.0258
Schistosoma mansoni ets-related 0.0217 0.0665 0.2404
Schistosoma mansoni aldehyde dehydrogenase 0.0125 0.0314 0.1135
Echinococcus granulosus geminin 0.0192 0.0569 0.2058
Schistosoma mansoni nAChR subunit 0.0312 0.1026 0.3709
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Echinococcus granulosus glycine receptor subunit beta 0.0643 0.2286 0.8263
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0643 0.2286 0.8263
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0643 0.2286 0.8263
Onchocerca volvulus 0.0312 0.1026 0.3608
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0159 0.0445 0.2177
Entamoeba histolytica hypothetical protein 0.0159 0.0445 0.2177
Schistosoma mansoni uridine phosphorylase 0.0159 0.0445 0.161
Brugia malayi hypothetical protein 0.0312 0.1026 0.122
Schistosoma mansoni neurotransmitter gated ion channel 0.0312 0.1026 0.3709
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0769 0.2766 0.3289
Brugia malayi jmjC domain containing protein 0.0131 0.0338 0.0402
Loa Loa (eye worm) jmjC domain-containing protein 0.0124 0.031 0.031
Toxoplasma gondii hypothetical protein 0.0055 0.0049 0.11
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0071 0.0258
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0125 0.0314 0.1135
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0312 0.1026 0.122
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0159 0.0445 0.2177
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.0843 0.3048
Schistosoma mansoni purine nucleoside phosphorylase 0.0769 0.2766 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Leishmania major thymidine kinase, putative 0.0245 0.077 0.6754
Echinococcus granulosus GPCR family 2 0.0068 0.0098 0.0355
Loa Loa (eye worm) hypothetical protein 0.0061 0.0071 0.0071
Echinococcus granulosus transient receptor potential gamma protein 0.0208 0.063 0.2276
Loa Loa (eye worm) hypothetical protein 0.0264 0.0843 0.0843
Schistosoma mansoni hypothetical protein 0.006 0.0067 0.0243
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0643 0.2286 0.2717
Loa Loa (eye worm) ACC-1 protein 0.0643 0.2286 0.2286
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0643 0.2286 0.8263
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0022 0.0194
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.2252 0.8412 1
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0159 0.0445 0.161
Onchocerca volvulus 0.0728 0.2611 0.943
Giardia lamblia Thymidine kinase 0.0245 0.077 0.2784
Echinococcus granulosus peregrin 0.006 0.0067 0.0243
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0312 0.1026 0.122
Brugia malayi Ets-domain containing protein 0.0071 0.0111 0.0132
Echinococcus multilocularis nAChR subunit 0.0643 0.2286 0.8263
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0062 0.0545
Loa Loa (eye worm) acetylcholine receptor protein 0.0312 0.1026 0.1026
Trypanosoma cruzi thymidine kinase, putative 0.0245 0.077 0.6754
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0643 0.2286 0.8263
Loa Loa (eye worm) hypothetical protein 0.006 0.0067 0.0067
Schistosoma mansoni transient receptor potential channel 0.0137 0.0362 0.1309
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0643 0.2286 0.2717
Giardia lamblia UPL-1 0.0159 0.0445 0.161
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0312 0.1026 0.1026
Plasmodium vivax hypothetical protein, conserved 0.006 0.0067 0.0101
Echinococcus multilocularis jumonji domain containing protein 0.0083 0.0156 0.0565
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0159 0.0445 0.161
Echinococcus granulosus TRP transient receptor potential channel 0.0077 0.0133 0.0481
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0331 0.1099 0.3972
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0312 0.1026 0.3709
Onchocerca volvulus Putative nachr subunit 0.0643 0.2286 0.8235
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.006 0.0067 0.0243
Brugia malayi Fli-1 protein 0.0217 0.0665 0.0791
Echinococcus multilocularis glycine receptor subunit beta 0.0643 0.2286 0.8263
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Schistosoma mansoni acetylcholine receptor subunit beta 0.0312 0.1026 0.3709
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Mycobacterium tuberculosis Conserved hypothetical protein 0.018 0.0525 0.1896
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0159 0.0445 0.2177
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0643 0.2286 0.8263
Schistosoma mansoni hypothetical protein 0.0068 0.0098 0.0355
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0207 0.0748
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0255 0.0809 0.2924
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.0338 0.1222
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0643 0.2286 0.8263
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0643 0.2286 0.8263
Schistosoma mansoni hypothetical protein 0.0192 0.0569 0.2058
Plasmodium falciparum purine nucleoside phosphorylase 0.0159 0.0445 1
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Onchocerca volvulus 0.0312 0.1026 0.3608
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0159 0.0445 0.3904
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0098 0.0098
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0159 0.0445 0.3904
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0342 0.114 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0125 0.0314 0.1135
Echinococcus multilocularis transient receptor potential ion channel A 0.0201 0.0603 0.2181
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.0843 0.3048
Schistosoma mansoni methylthioadenosine phosphorylase 0.0159 0.0445 0.161
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Plasmodium vivax tryptophan-rich antigen (Pv-fam-a) 0.1786 0.6638 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0643 0.2286 0.8263
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0159 0.0445 0.3904
Treponema pallidum uridine phosphorylase (udp) 0.0159 0.0445 0.2177
Schistosoma mansoni aldehyde dehydrogenase 0.0125 0.0314 0.1135
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0643 0.2286 0.8263
Brugia malayi hypothetical protein 0.0264 0.0843 0.1002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0643 0.2286 0.8263
Echinococcus multilocularis short transient receptor potential channel 6 0.0137 0.0362 0.1309
Echinococcus granulosus neuropeptide receptor A26 0.0524 0.1832 0.6621
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Schistosoma mansoni jumonji domain containing protein 0.0214 0.0655 0.2369
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0207 0.0748
Schistosoma mansoni hypothetical protein 0.0068 0.0098 0.0355
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0331 0.1099 0.1306
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0643 0.2286 0.8263
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0643 0.2286 0.2717
Brugia malayi Bromodomain containing protein 0.006 0.0067 0.008
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0769 0.2766 1
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0283 0.0917 0.2032
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0215 0.0658 0.0658
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0643 0.2286 0.2717
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Brugia malayi latrophilin 2 splice variant baaae 0.0147 0.0399 0.0474
Echinococcus multilocularis glycine receptor subunit beta 0.0643 0.2286 0.8263
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0643 0.2286 0.8263
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0643 0.2286 0.2717
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0159 0.0445 0.161
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0643 0.2286 0.8263
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0643 0.2286 0.2717
Leishmania major nucleoside phosphorylase-like protein 0.0159 0.0445 0.3904
Echinococcus multilocularis purine nucleoside phosphorylase 0.0769 0.2766 1
Entamoeba histolytica hypothetical protein 0.0331 0.1099 0.5371
Mycobacterium ulcerans hypothetical protein 0.018 0.0525 0.1896
Loa Loa (eye worm) hypothetical protein 0.0077 0.0133 0.0133
Echinococcus granulosus short transient receptor potential channel 6 0.0137 0.0362 0.1309
Echinococcus granulosus nAChR subunit 0.0643 0.2286 0.8263
Entamoeba histolytica thymidine kinase, putative 0.0245 0.077 0.3766
Loa Loa (eye worm) hypothetical protein 0.013 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0098 0.0355
Echinococcus multilocularis purine nucleoside phosphorylase 0.0769 0.2766 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0071 0.0258
Echinococcus multilocularis transient receptor potential gamma protein 0.0208 0.063 0.2276
Loa Loa (eye worm) LGC-31 protein 0.0643 0.2286 0.2286
Plasmodium falciparum phd finger protein, putative 0.006 0.0067 0.1507
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.0314 0.1135
Onchocerca volvulus 0.0061 0.0071 0.0101
Schistosoma mansoni hypothetical protein 0.0068 0.0098 0.0355
Schistosoma mansoni transient receptor potential channel 4 0.0208 0.063 0.2276
Onchocerca volvulus Alhambra homolog 0.006 0.0067 0.0085
Echinococcus granulosus uridine phosphorylase 1 0.0159 0.0445 0.161
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.0314 0.1135
Echinococcus multilocularis PHD finger protein rhinoceros 0.006 0.0067 0.0243
Brugia malayi Pre-SET motif family protein 0.0061 0.0071 0.0085
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Echinococcus granulosus methylthioadenosine phosphorylase 0.0159 0.0445 0.161
Onchocerca volvulus 0.0643 0.2286 0.8235
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Loa Loa (eye worm) hypothetical protein 0.1941 0.7225 0.7225
Echinococcus granulosus glycine receptor subunit alpha 1 0.0643 0.2286 0.8263
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0159 0.0445 0.2177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0098 0.0117
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.0338 0.1222
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0312 0.1026 0.122
Trichomonas vaginalis thymidine kinase, putative 0.0245 0.077 0.2784
Echinococcus multilocularis purine nucleoside phosphorylase 0.061 0.216 0.7809
Schistosoma mansoni survival motor neuron protein 0.0054 0.0044 0.0159
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0159 0.0445 0.161
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0162 0.0455 0.399
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Brugia malayi Cation transporter family protein 0.0643 0.2286 0.2717
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0159 0.0445 0.3904
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Loa Loa (eye worm) jmjC domain-containing protein 0.0131 0.0338 0.0338
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0643 0.2286 0.8263
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0643 0.2286 0.2717
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0643 0.2286 0.2717
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0643 0.2286 0.8263
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0643 0.2286 0.8263
Onchocerca volvulus 0.0728 0.2611 0.943
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Toxoplasma gondii phosphorylase family protein 0.0159 0.0445 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0125 0.0314 0.2753
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0207 0.0748
Trichomonas vaginalis thymidine kinase, putative 0.0245 0.077 0.2784
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Echinococcus multilocularis neuropeptide s receptor 0.0524 0.1832 0.6621
Trypanosoma cruzi thymidine kinase, putative 0.0245 0.077 0.6754
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0331 0.1099 0.1306
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0063 0.0227
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0643 0.2286 0.2717
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0111 0.0111
Echinococcus multilocularis lysine specific demethylase 5A 0.0131 0.0338 0.1222
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Onchocerca volvulus 0.0728 0.2611 0.943
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0207 0.0748
Trichomonas vaginalis conserved hypothetical protein 0.0159 0.0445 0.161
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0312 0.1026 0.122
Toxoplasma gondii aldehyde dehydrogenase 0.0125 0.0314 0.7051
Echinococcus multilocularis GPCR, family 2 0.0068 0.0098 0.0355
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0312 0.1026 0.3709
Brugia malayi Transient-receptor-potential like protein 0.0077 0.0133 0.0158
Echinococcus granulosus lysine specific demethylase 5A 0.0131 0.0338 0.1222
Schistosoma mansoni transient receptor potential channel 0.0137 0.0362 0.1309
Loa Loa (eye worm) hypothetical protein 0.007 0.0107 0.0107
Schistosoma mansoni hypothetical protein 0.0192 0.0569 0.2058
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0643 0.2286 0.2286
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0022 0.0194
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0643 0.2286 0.2717
Loa Loa (eye worm) hypothetical protein 0.0643 0.2286 0.2286
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0643 0.2286 0.8263
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0098 0.0355
Brugia malayi uridine phosphorylase family protein 0.0159 0.0445 0.0529
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0111 0.0402
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Echinococcus multilocularis purine nucleoside phosphorylase 0.061 0.216 0.7809
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0312 0.1026 0.3709
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.0445 0.161
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0643 0.2286 0.8263
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0162 0.0455 0.399
Echinococcus multilocularis purine nucleoside phosphorylase 0.0769 0.2766 1
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.0067 0.1507
Loa Loa (eye worm) hypothetical protein 0.0068 0.0098 0.0098
Brugia malayi excitatory GABA receptor EXP-1A 0.0643 0.2286 0.2717
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0283 0.0917 0.3315
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0643 0.2286 0.2286
Trypanosoma brucei uridine phosphorylase 0.0159 0.0445 0.3904
Schistosoma mansoni hypothetical protein 0.0068 0.0098 0.0355
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0342 0.114 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0643 0.2286 0.8263
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0125 0.0314 0.1135
Loa Loa (eye worm) hypothetical protein 0.0728 0.2611 0.2611
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0022 0.0194
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0643 0.2286 0.8263
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0769 0.2766 1
Onchocerca volvulus 0.0643 0.2286 0.8235
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Treponema pallidum fructose-bisphosphate aldolase 0.058 0.2046 1
Echinococcus granulosus jumonji domain containing protein 0.0083 0.0156 0.0565
Schistosoma mansoni purine nucleoside phosphorylase 0.0769 0.2766 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Echinococcus granulosus purine nucleoside phosphorylase 0.0769 0.2766 1
Echinococcus multilocularis geminin 0.0192 0.0569 0.2058
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0071 0.0258
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0077 0.0133 0.0481
Brugia malayi hypothetical protein 0.0312 0.1026 0.122
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0159 0.0445 0.3904
Schistosoma mansoni methylthioadenosine phosphorylase 0.0159 0.0445 0.161
Echinococcus granulosus transient receptor potential ion channel A 0.0201 0.0603 0.2181
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0312 0.1026 0.122
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0312 0.1026 0.122
Brugia malayi Ets-domain containing protein 0.0071 0.0111 0.0132
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0331 0.1099 0.1306
Schistosoma mansoni acetylcholine receptor-related 0.0312 0.1026 0.3709
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Toxoplasma gondii phosphorylase family protein 0.0159 0.0445 1
Trypanosoma brucei thymidine kinase 0.0245 0.077 0.6754
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0159 0.0445 0.161
Loa Loa (eye worm) hypothetical protein 0.0061 0.0072 0.0072
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0312 0.1026 0.3709
Echinococcus granulosus glycine receptor subunit beta 0.0643 0.2286 0.8263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0207 0.0748
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0643 0.2286 0.8263
Onchocerca volvulus 0.0484 0.1683 0.602
Giardia lamblia PHD finger protein 15 0.006 0.0067 0.0243
Echinococcus multilocularis neuropeptide receptor A26 0.0524 0.1832 0.6621
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0643 0.2286 0.2717
Trichomonas vaginalis conserved hypothetical protein 0.0159 0.0445 0.161
Brugia malayi PHD-finger family protein 0.006 0.0067 0.008
Loa Loa (eye worm) fli-1 protein 0.0217 0.0665 0.0665
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0098 0.0355
Giardia lamblia Fructose-bisphosphate aldolase 0.058 0.2046 0.7394
Loa Loa (eye worm) uridine phosphorylase 0.0159 0.0445 0.0445
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0643 0.2286 0.2717
Loa Loa (eye worm) hypothetical protein 0.0215 0.0658 0.0658
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0159 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Loa Loa (eye worm) hypothetical protein 0.0118 0.0289 0.0289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0207 0.0748
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0098 0.0355
Loa Loa (eye worm) hypothetical protein 0.0147 0.0399 0.0399
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0769 0.2766 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Brugia malayi Pre-SET motif family protein 0.0426 0.1459 0.1735
Echinococcus granulosus glycine receptor subunit alpha 1 0.0643 0.2286 0.8263
Onchocerca volvulus 0.0331 0.1099 0.3875
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0071 0.1605
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0255 0.0809 0.2924
Onchocerca volvulus 0.0331 0.1099 0.3875
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.2046 0.7394
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.058 0.2046 1
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0 0.5
Schistosoma mansoni uridine phosphorylase 0.0159 0.0445 0.161
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0312 0.1026 0.1026
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0159 0.0445 0.2177
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0769 0.2766 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0159 0.0445 0.3904
Loa Loa (eye worm) hypothetical protein 0.2252 0.8412 0.8412
Loa Loa (eye worm) hypothetical protein 0.0331 0.1099 0.1099
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0728 0.2611 0.9439
Brugia malayi MTAP 0.0159 0.0445 0.0529
Echinococcus multilocularis purine nucleoside phosphorylase 0.0769 0.2766 1
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0159 0.0445 0.161
Schistosoma mansoni transient receptor potential channel 0.0208 0.063 0.2276
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0022 0.0194
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0071 0.0258
Schistosoma mansoni methylthioadenosine phosphorylase 0.0159 0.0445 0.161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0215 0.0658 0.0782
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0643 0.2286 0.2286
Loa Loa (eye worm) hypothetical protein 0.0312 0.1026 0.1026
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0283 0.0917 0.3315
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0643 0.2286 0.2286
Echinococcus granulosus neuropeptide s receptor 0.0524 0.1832 0.6621
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0312 0.1026 0.3709
Schistosoma mansoni nAChR subunit 0.0643 0.2286 0.8263
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0111 0.0402
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0071 0.0258
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.061 0.216 0.7809
Schistosoma mansoni neurotransmitter gated ion channel 0.0331 0.1099 0.3972
Leishmania major mitochondrial DNA polymerase beta 0.0342 0.114 1
Schistosoma mansoni nAChR subunit 0.0312 0.1026 0.3709
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0331 0.1099 0.3972
Loa Loa (eye worm) ACC-1 protein 0.0643 0.2286 0.2286
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0643 0.2286 0.2717
Onchocerca volvulus 0.0643 0.2286 0.8235
Echinococcus multilocularis purine nucleoside phosphorylase 0.0769 0.2766 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0643 0.2286 0.2286
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0159 0.0445 0.161
Echinococcus multilocularis purine nucleoside phosphorylase 0.0769 0.2766 1
Echinococcus granulosus nAChR subunit 0.0331 0.1099 0.3972
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0207 0.0207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0071 0.0258
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.0067 0.1507
Plasmodium vivax SET domain protein, putative 0.0061 0.0071 0.0108
Onchocerca volvulus 0.0312 0.1026 0.3608
Schistosoma mansoni hypothetical protein 0.0054 0.0044 0.0159

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2280 nM Displacement of [3H]cystisine from nicotinic alpha4beta2 receptor in rat brain ChEMBL. 18262785
Ki (binding) > 10000 nM Displacement of [3H]alpha-bungaro-toxine from nicotinic alpha7 receptor in rat brain ChEMBL. 18262785
Ki (binding) > 10000 nM Displacement of [3H]oxotremorine from muscarinic receptor in rat brain ChEMBL. 18262785

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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