Detailed information for compound 269253

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.364 | Formula: C18H20N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C2CCC1CC(C2)OC(=O)c1cnc2c(c1)cccc2
  • InChi: 1S/C18H20N2O2/c1-20-14-6-7-15(20)10-16(9-14)22-18(21)13-8-12-4-2-3-5-17(12)19-11-13/h2-5,8,11,14-16H,6-7,9-10H2,1H3
  • InChiKey: SDOBRINCJGXIRO-UHFFFAOYSA-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
Rattus norvegicus Serotonin 3 (5-HT3) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 489 aa 31.3 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Serotonin 3 (5-HT3) receptor   483 aa 478 aa 25.1 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 477 aa 26.6 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 482 aa 23.9 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type des-2 homolog Serotonin 3 (5-HT3) receptor   483 aa 464 aa 24.8 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 484 aa 26.0 %
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Serotonin 3 (5-HT3) receptor   483 aa 490 aa 31.0 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 461 aa 24.3 %
Onchocerca volvulus Putative zinc finger protein Serotonin 3 (5-HT3) receptor   483 aa 489 aa 25.8 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Serotonin 3 (5-HT3) receptor   483 aa 445 aa 25.4 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Serotonin 3 (5-HT3) receptor   483 aa 503 aa 22.3 %
Echinococcus multilocularis nAChR subunit Serotonin 3 (5-HT3) receptor   483 aa 495 aa 24.2 %
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 457 aa 26.7 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 470 aa 26.8 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Serotonin 3 (5-HT3) receptor   483 aa 514 aa 23.2 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Serotonin 3 (5-HT3) receptor   483 aa 388 aa 21.9 %
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Serotonin 3 (5-HT3) receptor   483 aa 457 aa 26.9 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Serotonin 3 (5-HT3) receptor   483 aa 445 aa 25.6 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 452 aa 29.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 482 aa 25.1 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 463 aa 26.8 %
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 Serotonin 3 (5-HT3) receptor   483 aa 387 aa 25.6 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 457 aa 24.7 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 465 aa 27.3 %
Onchocerca volvulus Large subunit GTPase 1 homolog Serotonin 3 (5-HT3) receptor   483 aa 394 aa 19.3 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 473 aa 27.5 %
Brugia malayi Cation transporter family protein Serotonin 3 (5-HT3) receptor   483 aa 507 aa 28.2 %
Drosophila melanogaster nicotinic Acetylcholine Receptor alpha2 Serotonin 3 (5-HT3) receptor   483 aa 541 aa 25.5 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 470 aa 27.7 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 505 aa 21.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 465 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0728 0.1617 0.3315
Schistosoma mansoni cyclins 0.0479 0.1039 0.2129
Brugia malayi hypothetical protein 0.0116 0.0196 0.0569
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098
Echinococcus multilocularis survival motor neuron protein 1 0.0466 0.1009 0.2038
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0072 0.0095 0.0194
Loa Loa (eye worm) hypothetical protein 0.1022 0.2298 0.471
Onchocerca volvulus 0.0172 0.0328 0.1363
Brugia malayi Cation transporter family protein 0.0088 0.0131 0.038
Trypanosoma cruzi DNA repair protein, putative 0.0043 0.0026 0.0129
Echinococcus multilocularis cyclin G2 0.0116 0.0196 0.0395
Onchocerca volvulus Glucosylceramidase homolog 0.0117 0.0199 0.072
Echinococcus granulosus cyclin G2 0.0116 0.0196 0.0401
Entamoeba histolytica hypothetical protein 0.0071 0.0092 0.0035
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0004 0.002
Loa Loa (eye worm) twinkle helicase 0.0141 0.0256 0.0524
Brugia malayi GH02984p 0.024 0.0485 0.1407
Entamoeba histolytica cyclin, putative 0.0479 0.1039 0.4837
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0153 0.0314
Onchocerca volvulus Huntingtin homolog 0.0327 0.0687 0.3157
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0178 0.0341 0.07
Echinococcus granulosus glycine receptor subunit beta 0.0088 0.0131 0.0268
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0004 0.0008
Schistosoma mansoni microtubule-associated protein tau 0.0878 0.1965 0.4027
Entamoeba histolytica cyclin, domain containing protein 0.0116 0.0196 0.056
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0004 0.002
Trypanosoma cruzi cdc2-related kinase 1 0.0728 0.1617 0.7867
Schistosoma mansoni intermediate filament proteins 0.0072 0.0095 0.0194
Entamoeba histolytica hypothetical protein 0.0071 0.0092 0.0035
Schistosoma mansoni hypothetical protein 0.0073 0.0098 0.02
Loa Loa (eye worm) hypothetical protein 0.0466 0.1009 0.2068
Echinococcus multilocularis expressed conserved protein 0.0064 0.0076 0.0153
Schistosoma mansoni hypothetical protein 0.0351 0.0742 0.1521
Loa Loa (eye worm) hypothetical protein 0.0068 0.0085 0.0175
Trypanosoma brucei recA bacterial DNA recombination protein, putative 0.0043 0.0026 0.0129
Onchocerca volvulus Huntingtin homolog 0.0327 0.0687 0.3157
Echinococcus granulosus cyclin y 0.0116 0.0196 0.0401
Brugia malayi Intermediate filament tail domain containing protein 0.0072 0.0095 0.0275
Loa Loa (eye worm) cyclin domain-containing protein 0.0116 0.0196 0.0401
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0071 0.0093 0.0271
Echinococcus multilocularis lamin 0.0072 0.0095 0.0191
Loa Loa (eye worm) hypothetical protein 0.0917 0.2056 0.4213
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0088 0.0131 0.0268
Loa Loa (eye worm) hypothetical protein 0.0035 0.0008 0.0017
Schistosoma mansoni aldehyde dehydrogenase 0.0042 0.0026 0.0054
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0148 0.0304
Giardia lamblia Kinase, CMGC GSK 0.0907 0.2031 0.9866
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0907 0.2031 0.4102
Echinococcus granulosus cyclin B3 1 0.0479 0.1039 0.2129
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0004 0.002
Loa Loa (eye worm) cyclin domain-containing protein 0.1516 0.3444 0.7059
Echinococcus multilocularis cyclin dependent kinase 1 0.0728 0.1617 0.3267
Entamoeba histolytica hypothetical protein 0.0071 0.0092 0.0035
Toxoplasma gondii cyclin 4, putative 0.0116 0.0196 0.0964
Trypanosoma cruzi CYC2-like cyclin, putative 0.0917 0.2056 1
Echinococcus granulosus cyclins 0.0479 0.1039 0.2129
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.0196 0.0952
Echinococcus granulosus GPCR family 2 0.0073 0.0098 0.02
Trichomonas vaginalis cyclins, putative 0.0554 0.1213 0.5469
Echinococcus granulosus importin subunit beta 1 0.0033 0.0004 0.0008
Brugia malayi hypothetical protein 0.0327 0.0687 0.1994
Echinococcus multilocularis GPCR, family 2 0.0073 0.0098 0.0197
Echinococcus multilocularis lamin dm0 0.0072 0.0095 0.0191
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0073 0.0098 0.0283
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.2134 0.4879 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0095 0.0194
Echinococcus granulosus expressed conserved protein 0.0064 0.0076 0.0156
Plasmodium vivax hypothetical protein, conserved 0.0116 0.0196 0.0964
Trichomonas vaginalis cyclins, putative 0.0917 0.2056 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0088 0.0131 0.0264
Plasmodium vivax cyclin homologue, putative 0.0116 0.0196 0.0964
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0092 0.0186
Schistosoma mansoni importin beta-1 0.0033 0.0004 0.0008
Loa Loa (eye worm) cyclin C 0.0116 0.0196 0.0401
Echinococcus granulosus cyclin 0.0116 0.0196 0.0401
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0088 0.0131 0.0268
Schistosoma mansoni Cyclin fold protein 0.0116 0.0196 0.0401
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Trypanosoma brucei mitotic cyclin 0.0116 0.0196 0.0952
Echinococcus multilocularis G1:S specific cyclin D1 0.0116 0.0196 0.0395
Schistosoma mansoni cyclin G2 0.0116 0.0196 0.0401
Trichomonas vaginalis CMGC family protein kinase 0.0907 0.2031 0.9866
Echinococcus granulosus cyclin y 0.0116 0.0196 0.0401
Onchocerca volvulus 0.0095 0.0148 0.0466
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.0148 0.0431
Plasmodium falciparum importin beta, putative 0.0033 0.0004 0.002
Schistosoma mansoni alpha-glucosidase 0.0082 0.0117 0.024
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0907 0.2031 0.4163
Brugia malayi hypothetical protein 0.0466 0.1009 0.293
Echinococcus granulosus cyclin dependent kinase 0.0728 0.1617 0.3315
Brugia malayi Importin beta-1 subunit 0.0033 0.0004 0.0012
Trichomonas vaginalis cyclin B, putative 0.0479 0.1039 0.4531
Echinococcus multilocularis cyclin y 0.0116 0.0196 0.0395
Echinococcus granulosus lysosomal alpha glucosidase 0.0095 0.0148 0.0303
Loa Loa (eye worm) hypothetical protein 0.0066 0.0081 0.0165
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0495 0.1076 0.27
Schistosoma mansoni hypothetical protein 0.0073 0.0098 0.02
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0042 0.0026 0.0026
Echinococcus granulosus glycine receptor subunit beta 0.0088 0.0131 0.0268
Brugia malayi MH2 domain containing protein 0.0319 0.0667 0.1938
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0071 0.0093 0.0191
Echinococcus multilocularis cyclin dependent kinase 5 0.0728 0.1617 0.3267
Onchocerca volvulus Cyclin L homolog 0.0116 0.0196 0.0704
Giardia lamblia Hypothetical protein 0.0479 0.1039 0.4531
Onchocerca volvulus 0.0072 0.0095 0.0199
Plasmodium vivax importin-beta 2, putative 0.0033 0.0004 0.002
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0153 0.0309
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0035 0.0008 0.0017
Schistosoma mansoni cyclin k 0.0116 0.0196 0.0401
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0073 0.0098 0.0197
Trichomonas vaginalis cyclin A, putative 0.0917 0.2056 1
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0116 0.0196 0.0964
Toxoplasma gondii aldehyde dehydrogenase 0.0042 0.0026 0.0129
Schistosoma mansoni cyclin B 0.0917 0.2056 0.4213
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0071 0.0093 0.0188
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0088 0.0131 0.0264
Onchocerca volvulus Protein CNPPD1 homolog 0.0116 0.0196 0.0704
Loa Loa (eye worm) hypothetical protein 0.0033 0.0005 0.0011
Onchocerca volvulus 0.0072 0.0095 0.0199
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0341 0.0783
Schistosoma mansoni hypothetical protein 0.0095 0.0148 0.0304
Brugia malayi hypothetical protein 0.0116 0.0196 0.0569
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0907 0.2031 0.4163
Trypanosoma brucei mitotic cyclin 6 0.0917 0.2056 1
Plasmodium vivax protein kinase Crk2 0.0728 0.1617 0.7963
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.0109 0.0316
Echinococcus granulosus cyclin G2 0.0116 0.0196 0.0401
Giardia lamblia Kinase, CMGC CDK 0.0728 0.1617 0.7642
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0092 0.0189
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Loa Loa (eye worm) cyclin domain-containing protein 0.0116 0.0196 0.0401
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0116 0.0196 0.0964
Schistosoma mansoni lamin 0.0072 0.0095 0.0194
Echinococcus granulosus Niemann Pick C1 protein 0.0068 0.0085 0.0175
Loa Loa (eye worm) hypothetical protein 0.024 0.0485 0.0993
Echinococcus granulosus glycine receptor subunit alpha 1 0.0088 0.0131 0.0268
Trichomonas vaginalis cyclins, putative 0.0479 0.1039 0.4531
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0116 0.0196 0.0395
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Trichomonas vaginalis cyclin B, putative 0.0917 0.2056 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0907 0.2031 0.9879
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0042 0.0026 0.0127
Chlamydia trachomatis replicative DNA helicase 0.0495 0.1076 1
Trichomonas vaginalis cyclin B, putative 0.0917 0.2056 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0088 0.0131 0.0268
Entamoeba histolytica cyclin, putative 0.0917 0.2056 1
Plasmodium vivax cyclin 4, putative 0.0116 0.0196 0.0964
Brugia malayi Cyclin, N-terminal domain containing protein 0.0917 0.2056 0.5969
Brugia malayi intracellular kinase 0.0907 0.2031 0.5897
Trypanosoma cruzi cdc2-related kinase 1 0.0728 0.1617 0.7867
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0148 0.0304
Mycobacterium ulcerans recombinase A 0.0138 0.0248 0.2117
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0088 0.0131 0.0268
Loa Loa (eye worm) hypothetical protein 0.2134 0.4879 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.2134 0.4879 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Trichomonas vaginalis cyclin B3, putative 0.0479 0.1039 0.4531
Loa Loa (eye worm) hypothetical protein 0.0917 0.2056 0.4213
Onchocerca volvulus Cyclin L homolog 0.0116 0.0196 0.0704
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Echinococcus multilocularis geminin 0.0414 0.0887 0.1792
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0116 0.0196 0.0401
Loa Loa (eye worm) cyclin domain-containing protein 0.0116 0.0196 0.0401
Plasmodium falciparum cyclin 0.0479 0.1039 0.5114
Brugia malayi intermediate filament protein 0.0072 0.0095 0.0275
Brugia malayi hypothetical protein 0.1022 0.2298 0.6672
Leishmania major cyclin 9, putative 0.0116 0.0196 0.0952
Echinococcus multilocularis musashi 0.0072 0.0095 0.0191
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0917 0.2056 1
Echinococcus multilocularis glycine receptor subunit beta 0.0088 0.0131 0.0264
Echinococcus multilocularis high affinity choline transporter 1 0.024 0.0485 0.0979
Loa Loa (eye worm) transcription factor SMAD2 0.0319 0.0667 0.1368
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0231 0.0465 0.1349
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0148 0.0304
Entamoeba histolytica cell division protein kinase 2, putative 0.0728 0.1617 0.7775
Schistosoma mansoni g1/s-specific cyclin C 0.0116 0.0196 0.0401
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098
Echinococcus multilocularis cyclin b3 0.0479 0.1039 0.2098
Loa Loa (eye worm) hypothetical protein 0.0088 0.0131 0.0268
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0088 0.0131 0.0268
Giardia lamblia Kinase, CMGC CDK 0.0728 0.1617 0.7642
Loa Loa (eye worm) hypothetical protein 0.0327 0.0687 0.1407
Trichomonas vaginalis glucosylceramidase, putative 0.0123 0.0214 0.0097
Trichomonas vaginalis glucosylceramidase, putative 0.0123 0.0214 0.0097
Entamoeba histolytica protein kinase domain containing protein 0.0907 0.2031 0.9874
Leishmania major mitotic cyclin, putative 0.0116 0.0196 0.0952
Entamoeba histolytica cell division protein kinase 2, putative 0.0728 0.1617 0.7775
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.0109 0.022
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0907 0.2031 0.4163
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0092 0.0189
Loa Loa (eye worm) cyclin domain-containing protein 0.0116 0.0196 0.0401
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0728 0.1617 0.3315
Schistosoma mansoni survival motor neuron protein 0.0095 0.0148 0.0304
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098
Schistosoma mansoni aldehyde dehydrogenase 0.0042 0.0026 0.0054
Plasmodium falciparum cyclin 1 0.0116 0.0196 0.0964
Trichomonas vaginalis cyclin D, putative 0.0479 0.1039 0.4531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0148 0.0304
Echinococcus granulosus cyclins 0.0116 0.0196 0.0401
Brugia malayi Cyclin C 0.0116 0.0196 0.0569
Echinococcus granulosus cyclin dependent kinase 5 0.0728 0.1617 0.3315
Echinococcus granulosus cyclin k 0.0116 0.0196 0.0401
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0341 0.0783
Schistosoma mansoni alpha-glucosidase 0.0082 0.0117 0.024
Echinococcus granulosus cyclins 0.0479 0.1039 0.2129
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0071 0.0093 0.0191
Brugia malayi Cyclin, N-terminal domain containing protein 0.0917 0.2056 0.5969
Loa Loa (eye worm) CYL-1 protein 0.0116 0.0196 0.0401
Trichomonas vaginalis CMGC family protein kinase 0.0728 0.1617 0.7642
Echinococcus multilocularis lysosomal alpha glucosidase 0.0095 0.0148 0.0298
Loa Loa (eye worm) hypothetical protein 0.0231 0.0465 0.0952
Trypanosoma brucei cdc2-related kinase 1 0.0728 0.1617 0.7867
Mycobacterium leprae Conserved hypothetical protein 0.146 0.3314 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0328 0.0671
Giardia lamblia Kinase, CMGC GSK 0.0907 0.2031 0.9866
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Echinococcus multilocularis cyclin A3 4 0.0116 0.0196 0.0395
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0495 0.1076 1
Trypanosoma brucei cdc2-related kinase 3 0.0728 0.1617 0.7867
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0341 0.0783
Loa Loa (eye worm) hypothetical protein 0.0073 0.0098 0.02
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0907 0.2031 0.4163
Trypanosoma brucei cyclin 3 0.0116 0.0196 0.0952
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0116 0.0196 0.0401
Trypanosoma cruzi cdc2-related kinase 3 0.0728 0.1617 0.7867
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0907 0.2031 1
Schistosoma mansoni cyclin B3 0.1516 0.3444 0.7059
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0008
Trypanosoma cruzi mitotic cyclin, putative 0.0116 0.0196 0.0952
Trichomonas vaginalis cyclin B, putative 0.0917 0.2056 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0095 0.0148 0.0298
Echinococcus multilocularis cyclin B 0.0917 0.2056 0.4152
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0116 0.0196 0.0401
Trypanosoma cruzi cyclin, putative 0.0917 0.2056 1
Loa Loa (eye worm) hypothetical protein 0.0327 0.0687 0.1407
Brugia malayi Niemann-Pick C1 protein precursor 0.0068 0.0085 0.0248
Entamoeba histolytica protein kinase, putative 0.0907 0.2031 0.9874
Echinococcus granulosus cyclins 0.0479 0.1039 0.2129
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0095 0.0148 0.0303
Loa Loa (eye worm) MH2 domain-containing protein 0.0319 0.0667 0.1368
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098
Brugia malayi Cyclin, N-terminal domain containing protein 0.1516 0.3444 1
Brugia malayi hypothetical protein 0.0172 0.0328 0.0951
Entamoeba histolytica cyclin, domain containing protein 0.0116 0.0196 0.056
Brugia malayi hypothetical protein 0.0071 0.0092 0.0268
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0341 0.0783
Loa Loa (eye worm) hypothetical protein 0.0074 0.0099 0.0202
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Echinococcus granulosus G1:S specific cyclin D1 0.0116 0.0196 0.0401
Schistosoma mansoni hypothetical protein 0.0073 0.0098 0.02
Trypanosoma brucei protein kinase, putative 0.0907 0.2031 0.9879
Schistosoma mansoni cyclin l 0.0116 0.0196 0.0401
Entamoeba histolytica hypothetical protein 0.0116 0.0196 0.056
Echinococcus granulosus high affinity choline transporter 1 0.024 0.0485 0.0993
Echinococcus multilocularis glycine receptor subunit beta 0.0088 0.0131 0.0264
Loa Loa (eye worm) GABA receptor subunit 0.0074 0.0099 0.0202
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0088 0.0131 0.0264
Giardia lamblia Cyclin A 0.0479 0.1039 0.4531
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.1516 0.3444 0.6956
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0728 0.1617 0.7867
Loa Loa (eye worm) hypothetical protein 0.0033 0.0005 0.0011
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0178 0.0341 0.0991
Echinococcus granulosus G2:mitotic specific cyclin B3 0.1516 0.3444 0.7059
Schistosoma mansoni cyclin d 0.0116 0.0196 0.0401
Entamoeba histolytica protein kinase domain containing protein 0.0907 0.2031 0.9874
Echinococcus granulosus cyclins 0.0479 0.1039 0.2129
Echinococcus multilocularis snurportin 1 0.0351 0.0742 0.1499
Schistosoma mansoni hypothetical protein 0.0414 0.0887 0.1818
Toxoplasma gondii hypothetical protein 0.0116 0.0196 0.0964
Echinococcus multilocularis Niemann Pick C1 protein 0.0068 0.0085 0.0173
Plasmodium falciparum glycogen synthase kinase 3 0.0907 0.2031 1
Trypanosoma cruzi cyclin, putative 0.0917 0.2056 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0116 0.0196 0.0964
Echinococcus granulosus cyclins 0.0479 0.1039 0.2129
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0148 0.0304
Brugia malayi Latrophilin receptor protein 2 0.0073 0.0098 0.0283
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.2134 0.4879 0.9854
Loa Loa (eye worm) intermediate filament protein 0.0072 0.0095 0.0194
Brugia malayi Glycosyl hydrolases family 31 protein 0.0095 0.0148 0.0429
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0728 0.1617 0.3315
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0495 0.1076 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0042 0.0026 0.0053
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0088 0.0131 0.0264
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.0109 0.0223
Echinococcus multilocularis protein kinase shaggy 0.0907 0.2031 0.4102
Loa Loa (eye worm) cyclin domain-containing protein 0.0116 0.0196 0.0401
Plasmodium falciparum protein kinase 5 0.0728 0.1617 0.7963
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0074 0.0099 0.0287
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0073 0.0098 0.02
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0351 0.0742 0.1521
Trichomonas vaginalis cyclins, putative 0.0917 0.2056 1
Echinococcus multilocularis protein dispatched 1 0.0033 0.0005 0.001
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0069 0.0088 0.018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0231 0.0465 0.1349
Plasmodium vivax glycogen synthase kinase 3, putative 0.0907 0.2031 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0728 0.1617 0.3315
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0022
Schistosoma mansoni hypothetical protein 0.0116 0.0196 0.0401
Schistosoma mansoni serine/threonine protein kinase 0.0728 0.1617 0.3315
Trichomonas vaginalis cyclins, putative 0.0917 0.2056 1
Echinococcus multilocularis cyclin 0.0116 0.0196 0.0395
Schistosoma mansoni cyclin G 0.0116 0.0196 0.0401
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Brugia malayi cyclin fold protein 1 variant b 0.0116 0.0196 0.0569
Schistosoma mansoni hypothetical protein 0.0071 0.0092 0.0189
Loa Loa (eye worm) hypothetical protein 0.0439 0.0945 0.1937
Brugia malayi RNA, U transporter 1 0.0094 0.0145 0.042
Echinococcus multilocularis microtubule associated protein 2 0.0878 0.1965 0.3969
Onchocerca volvulus 0.0116 0.0196 0.0704
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0728 0.1617 0.7867
Giardia lamblia G2/mitotic-specific cyclin B 0.0917 0.2056 1
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Echinococcus granulosus cyclin A3 4 0.0116 0.0196 0.0401
Leishmania major cyclin 0.0917 0.2056 1
Trichomonas vaginalis CMGC family protein kinase 0.0907 0.2031 0.9866
Echinococcus granulosus protein kinase shaggy 0.0907 0.2031 0.4163
Echinococcus granulosus cyclin dependent kinase 1 0.0728 0.1617 0.3315
Trypanosoma cruzi cdc2-related kinase 3 0.0728 0.1617 0.7867
Loa Loa (eye worm) cyclin domain-containing protein 0.0116 0.0196 0.0401
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0116 0.0196 0.0401
Echinococcus granulosus microtubule associated protein 2 0.0878 0.1965 0.4027
Echinococcus multilocularis cyclin dependent kinase 1 0.0728 0.1617 0.3267
Treponema pallidum replicative DNA helicase (dnaB) 0.0495 0.1076 1
Trichomonas vaginalis cyclin D, putative 0.0479 0.1039 0.4531
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0039 0.0017 0.0035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0148 0.043
Entamoeba histolytica cyclin family protein 0.0479 0.1039 0.4837
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0188
Loa Loa (eye worm) hypothetical protein 0.0116 0.0196 0.0401
Echinococcus granulosus lamin dm0 0.0072 0.0095 0.0194
Echinococcus granulosus cyclin t1 0.0116 0.0196 0.0401
Loa Loa (eye worm) hypothetical protein 0.0712 0.158 0.3237
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.0196 0.0569
Schistosoma mansoni serine/threonine protein kinase 0.0728 0.1617 0.3315
Schistosoma mansoni lamin 0.0072 0.0095 0.0194
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0148 0.0304
Toxoplasma gondii cyclin dependent kinase binding protein 0.0116 0.0196 0.0964
Echinococcus multilocularis cyclin dependent kinase 0.0728 0.1617 0.3267
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0116 0.0196 0.0952
Echinococcus granulosus intermediate filament protein 0.0072 0.0095 0.0194
Loa Loa (eye worm) hypothetical protein 0.0116 0.0196 0.0401
Loa Loa (eye worm) hypothetical protein 0.0158 0.0295 0.0604
Onchocerca volvulus 0.0917 0.2056 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0088 0.0131 0.0268
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0116 0.0196 0.0964
Schistosoma mansoni hypothetical protein 0.0158 0.0295 0.0604
Echinococcus multilocularis Cyclin L1 0.0116 0.0196 0.0395
Echinococcus granulosus cyclin b3 0.0479 0.1039 0.2129
Echinococcus multilocularis cyclin B3 1 0.0479 0.1039 0.2098
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0148 0.0299
Trypanosoma brucei cyclin 9 0.0116 0.0196 0.0952
Echinococcus multilocularis cyclin y 0.0116 0.0196 0.0395
Brugia malayi cytoplasmic intermediate filament protein 0.0039 0.0017 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0479 0.1039 0.4531
Entamoeba histolytica hypothetical protein 0.0071 0.0092 0.0035
Trichomonas vaginalis cyclins, putative 0.0917 0.2056 1
Schistosoma mansoni Replicative DNA helicase 0.0495 0.1076 0.2206
Trichomonas vaginalis CMGC family protein kinase 0.0728 0.1617 0.7642
Onchocerca volvulus 0.0907 0.2031 0.9876
Loa Loa (eye worm) hypothetical protein 0.1022 0.2298 0.471
Trichomonas vaginalis cyclin B, putative 0.0917 0.2056 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0073 0.0098 0.02
Brugia malayi Protein kinase domain containing protein 0.0728 0.1617 0.4696
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0341 0.0783
Schistosoma mansoni high-affinity choline transporter 0.024 0.0485 0.0993
Echinococcus granulosus lamin 0.0072 0.0095 0.0194
Leishmania major mitotic cyclin, putative 0.0116 0.0196 0.0952
Echinococcus multilocularis cyclin k 0.0116 0.0196 0.0395
Echinococcus multilocularis cyclin G2 0.0116 0.0196 0.0395
Trypanosoma cruzi cyclin 9, putative 0.0116 0.0196 0.0952
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0116 0.0196 0.0964
Loa Loa (eye worm) nuclear hormone receptor 0.0064 0.0077 0.0159
Echinococcus granulosus snurportin 1 0.0351 0.0742 0.1521
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0231 0.0465 0.0952
Entamoeba histolytica cyclin family protein 0.0479 0.1039 0.4837
Echinococcus granulosus geminin 0.0414 0.0887 0.1818
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0035 0.0008 0.0017
Echinococcus granulosus Cyclin L1 0.0116 0.0196 0.0401
Echinococcus granulosus survival motor neuron protein 1 0.0466 0.1009 0.2068
Schistosoma mansoni hypothetical protein 0.0116 0.0196 0.0401
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0073 0.0098 0.02
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.2166 0.4952 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0042 0.0026 0.0054
Schistosoma mansoni hypothetical protein 0.0073 0.0098 0.02
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0148 0.0299
Echinococcus multilocularis cyclin t1 0.0116 0.0196 0.0395
Brugia malayi cell division control protein 2 homolog 0.0728 0.1617 0.4696
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.3985 0.9172 0.9172
Trichomonas vaginalis CMGC family protein kinase 0.0728 0.1617 0.7642
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0341 0.0783
Brugia malayi latrophilin 2 splice variant baaae 0.0158 0.0295 0.0856
Trypanosoma cruzi mitotic cyclin, putative 0.0116 0.0196 0.0952
Entamoeba histolytica cyclin C, putative 0.0116 0.0196 0.056
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0073 0.0098 0.0197
Echinococcus granulosus glycine receptor subunit alpha 1 0.0088 0.0131 0.0268
Trypanosoma cruzi cyclin 6, putative 0.0917 0.2056 1
Trypanosoma cruzi DNA repair protein, putative 0.0043 0.0026 0.0129
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0116 0.0196 0.0395
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0728 0.1617 0.7963
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0907 0.2031 0.9879
Echinococcus granulosus cyclin B 0.0917 0.2056 0.4213
Toxoplasma gondii hypothetical protein 0.0363 0.0771 0.3794
Schistosoma mansoni hypothetical protein 0.0414 0.0887 0.1818
Trichomonas vaginalis glucosylceramidase, putative 0.0117 0.0199 0.0018
Echinococcus multilocularis cyclins 0.0479 0.1039 0.2098

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.37 mg kg-1 In vivo inhibitory concentration after 5 minutes against 5-hydroxytryptamine 3 receptor induced bradycardia [bezold-jarisch (B-J) reflex test] in rat by intravenous administration ChEMBL. 8496941
ED50 (functional) = 0.37 mg kg-1 In vivo inhibitory concentration after 5 minutes against 5-hydroxytryptamine 3 receptor induced bradycardia [bezold-jarisch (B-J) reflex test] in rat by intravenous administration ChEMBL. 8496941
Ki (binding) = 66.9 nM Binding affinity against radioligand [3H]-quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells. ChEMBL. 8496941
Ki (binding) = 66.9 nM Binding affinity against radioligand [3H]-quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells. ChEMBL. 8496941

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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