Detailed information for compound 337517

Basic information

Technical information
  • TDR Targets ID: 337517
  • Name: 4-[(7-bromonaphthalen-2-yl)methyl]-5-piperidi n-4-yl-1,2-oxazol-3-one
  • MW: 387.27 | Formula: C19H19BrN2O2
  • H donors: 2 H acceptors: 2 LogP: 4.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)cc(cc2)Cc1c(O)noc1C1CCNCC1
  • InChi: 1S/C19H19BrN2O2/c20-16-4-3-13-2-1-12(9-15(13)11-16)10-17-18(24-22-19(17)23)14-5-7-21-8-6-14/h1-4,9,11,14,21H,5-8,10H2,(H,22,23)
  • InChiKey: WGNYJQDNFDYMFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(7-bromo-2-naphthyl)methyl]-5-(4-piperidyl)isoxazol-3-one
  • 4-[(7-bromo-2-naphthyl)methyl]-5-(4-piperidinyl)-3-isoxazolone
  • 4-[(7-bromo-2-naphthyl)methyl]-5-(4-piperidyl)-4-isoxazolin-3-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA-A receptor; anion channel 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
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 468 aa 28.6 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit GABA-A receptor; anion channel   467 aa 379 aa 19.3 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative GABA-A receptor; anion channel   467 aa 384 aa 19.5 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 446 aa 29.1 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 461 aa 27.8 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 447 aa 25.7 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; anion channel   467 aa 496 aa 26.0 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 435 aa 29.7 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 454 aa 30.4 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 446 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0317 0.0488 0.0448
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0022 0.0049
Schistosoma mansoni histone deacetylase 4 5 0.2238 0.3758 0.3758
Echinococcus granulosus histone deacetylase 3 0.2626 0.442 1
Loa Loa (eye worm) TK protein kinase 0.004 0.0016 0.0035
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0193 0.0276 0.0624
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0056 0.0043 0.003
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.01 0.0118 0.0265
Echinococcus multilocularis tyrosine protein kinase Blk 0.004 0.0016 0.0035
Schistosoma mansoni voltage-gated potassium channel 0.0038 0.0013 0.0013
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.01 0.0118 0.0077
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2626 0.442 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.5904 1 1
Schistosoma mansoni histone deacetylase hda2 0.2264 0.3803 0.3803
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0013 0.0013
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0055 0.0041 0.0092
Trypanosoma cruzi histone deacetylase, putative 0.2238 0.3758 0.3732
Plasmodium vivax histone deacetylase 1, putative 0.2626 0.442 0.4396
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5904 1 1
Giardia lamblia Histone deacetylase 0.2626 0.442 1
Echinococcus granulosus histone deacetylase 1 0.2626 0.442 1
Trypanosoma cruzi histone deacetylase 1, putative 0.2626 0.442 0.4396
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0022 0.0049
Echinococcus multilocularis histone deacetylase 8 0.1066 0.1764 0.399
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0055 0.0041 0.0028
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2305 0.3873 0.876
Loa Loa (eye worm) histone deacetylase 1 0.2626 0.442 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0044 0.0022 0.0049
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0055 0.0041 0.0092
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0055 0.0041 0.0041
Plasmodium falciparum dihydroorotate dehydrogenase 0.5904 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0056 0.0043 0.0096
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0405 0.0638 0.1441
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2305 0.3873 0.8763
Echinococcus granulosus tyrosine protein kinase Src42A 0.0039 0.0014 0.003
Schistosoma mansoni histone deacetylase 1 2 3 0.1066 0.1764 0.1764
Brugia malayi Histone deacetylase family protein 0.2238 0.3758 0.375
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0272 0.0411 0.0928
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0041 0.0064
Loa Loa (eye worm) hypothetical protein 0.2626 0.442 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0087 0.0097 0.0217
Echinococcus multilocularis expressed conserved protein 0.0083 0.009 0.0202
Loa Loa (eye worm) hypothetical protein 0.0169 0.0235 0.0531
Brugia malayi protein-tyrosine kinase 0.004 0.0016 0.0003
Echinococcus granulosus tyrosine protein kinase Blk 0.004 0.0016 0.0035
Echinococcus granulosus histone deacetylase 7 0.2238 0.3758 0.8503
Echinococcus granulosus tyrosine protein kinase Lyn 0.0044 0.0022 0.0049
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0039 0.0014 0.003
Echinococcus granulosus histone deacetylase 0.2238 0.3758 0.8503
Trypanosoma cruzi histone deacetylase, putative 0.1066 0.1764 0.1729
Plasmodium falciparum histone deacetylase 1 0.2626 0.442 0.4396
Echinococcus granulosus histone deacetylase 6 0.2264 0.3803 0.8604
Brugia malayi SRC-1 0.0044 0.0022 0.0009
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2305 0.3873 0.876
Entamoeba histolytica histone deacetylase, putative 0.2626 0.442 1
Toxoplasma gondii histone deacetylase HDAC4 0.1427 0.2377 0.2345
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2305 0.3873 0.8763
Brugia malayi Histone deacetylase 1 0.2626 0.442 0.4412
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0317 0.0488 0.1076
Echinococcus multilocularis Zinc finger, PHD finger 0.0055 0.0041 0.0092
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0317 0.0488 0.0475
Onchocerca volvulus Histone deacetylase 10 homolog 0.1066 0.1764 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.5904 1 1
Trichomonas vaginalis histone deacetylase, putative 0.2626 0.442 1
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0282 0.0428 0.0966
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5904 1 1
Loa Loa (eye worm) SRC-1 0.0044 0.0022 0.0049
Trichomonas vaginalis histone deacetylase, putative 0.2626 0.442 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2626 0.442 1
Echinococcus multilocularis voltage gated potassium channel 0.0056 0.0043 0.0096
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0248 0.037 0.081
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2305 0.3873 0.876
Loa Loa (eye worm) histone deacetylase 7A 0.2238 0.3758 0.8503
Schistosoma mansoni voltage-gated potassium channel 0.021 0.0307 0.0307
Plasmodium falciparum histone deacetylase, putative 0.2238 0.3758 0.3732
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.5904 1 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0088 0.0098 0.0085
Echinococcus multilocularis histone deacetylase 7 0.2238 0.3758 0.8503
Echinococcus granulosus voltage gated potassium channel 0.0056 0.0043 0.0096
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0038 0.0013 0.0028
Loa Loa (eye worm) histone deacetylase 3 0.2626 0.442 1
Echinococcus granulosus tyrosine kinase 0.004 0.0016 0.0035
Loa Loa (eye worm) hypothetical protein 0.0056 0.0043 0.0096
Echinococcus multilocularis tyrosine protein kinase Srms 0.004 0.0016 0.0035
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.018 0.0255 0.0548
Trichomonas vaginalis histone deacetylase, putative 0.2626 0.442 1
Trypanosoma brucei histone deacetylase 4 0.2238 0.3758 0.3732
Schistosoma mansoni histone deacetylase 0.2626 0.442 0.442
Loa Loa (eye worm) histone deacetylase 11 0.1427 0.2377 0.5377
Loa Loa (eye worm) hypothetical protein 0.0167 0.0233 0.0526
Echinococcus multilocularis histone deacetylase 6 0.2238 0.3758 0.8503
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0022 0.0049
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0405 0.0638 0.1441
Trypanosoma brucei histone deacetylase 3 0.2238 0.3758 0.3732
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.01 0.0118 0.0118
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2305 0.3873 0.8763
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0193 0.0276 0.0624
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0055 0.0041 0.0092
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0043 0.0043
Loa Loa (eye worm) histone deacetylase 0.2238 0.3758 0.8503
Echinococcus multilocularis histone deacetylase 6 0.2238 0.3758 0.8503
Trypanosoma brucei histone deacetylase 2 0.1066 0.1764 0.1729
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2305 0.3873 0.8763
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5904 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0317 0.0488 0.0448
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.01 0.0118 0.0265
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0044 0.0022 0.0049
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0028
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0055 0.0041 0.0064
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5904 1 1
Trichomonas vaginalis histone deacetylase, putative 0.2626 0.442 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.02 0.0452
Schistosoma mansoni hypothetical protein 0.0083 0.009 0.009
Leishmania major histone deacetylase, putative 0.2626 0.442 0.4396
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2305 0.3873 0.876
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.018 0.0255 0.0548
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0038 0.0013 0.0028
Echinococcus granulosus histone deacetylase 6 0.2238 0.3758 0.8503
Toxoplasma gondii histone deacetylase HDAC5 0.1066 0.1764 0.1729
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0056 0.0043 0.0096
Trichomonas vaginalis histone deacetylase, putative 0.2626 0.442 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0013 0.0013
Brugia malayi SH2 domain containing protein 0.0351 0.0546 0.0534
Schistosoma mansoni tyrosine kinase 0.0044 0.0022 0.0022
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0055 0.0041 0.0092
Schistosoma mansoni dihydroorotate dehydrogenase 0.5904 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0044 0.0022 0.0049
Leishmania major histone deacetylase, putative 0.2238 0.3758 0.3732
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0169 0.0235 0.0531
Trypanosoma cruzi histone deacetylase 1, putative 0.2626 0.442 0.4396
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0038 0.0013 0.0028
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0561 0.1268
Loa Loa (eye worm) hypothetical protein 0.1172 0.1943 0.4395
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0317 0.0488 0.1101
Leishmania major histone deacetylase, putative 0.2238 0.3758 0.3732
Loa Loa (eye worm) hypothetical protein 0.036 0.0561 0.1268
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0092 0.0105 0.0237
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.5904 1 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.5904 1 0.5
Plasmodium vivax histone deacetylase, putative 0.2238 0.3758 0.3732
Toxoplasma gondii histone deacetylase HDAC3 0.2626 0.442 0.4396
Leishmania major histone deacetylase, putative 0.2626 0.442 0.4396
Echinococcus granulosus hyperpolarization activated cyclic 0.0038 0.0013 0.0028
Echinococcus granulosus expressed conserved protein 0.0083 0.009 0.0202
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0055 0.0041 0.0092
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0038 0.0013 0.0028
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0405 0.0638 0.0638
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0317 0.0488 0.1076
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0248 0.037 0.081
Echinococcus multilocularis hyperpolarization activated cyclic 0.0038 0.0013 0.0028
Echinococcus granulosus tyrosine protein kinase Src64B 0.0044 0.0022 0.0049
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2305 0.3873 0.8763
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0169 0.0235 0.0223
Toxoplasma gondii histone deacetylase HDAC1 0.2238 0.3758 0.3732
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.01 0.0118 0.0238
Entamoeba histolytica hypothetical protein 0.0272 0.0411 0.0928
Schistosoma mansoni histone deacetylase 4 5 0.2238 0.3758 0.3758
Brugia malayi histone deacetylase 1 (HD1) 0.2626 0.442 0.4412
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.0022 0.0049
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.0013 0.0028
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0044 0.0022 0.0049
Echinococcus multilocularis hyperpolarization activated cyclic 0.0038 0.0013 0.0028
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.01 0.0118 0.0077
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0022 0.0049
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0038 0.0013 0.0028
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0055 0.0041 0.0064
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0016 0.0035
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.0022 0.0049
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0022 0.0049
Plasmodium vivax histone deacetylase 2, putative 0.2238 0.3758 0.3732
Brugia malayi histone deacetylase 11 0.1427 0.2377 0.2367
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.5904 1 0.5
Schistosoma mansoni histone deacetylase 0.2626 0.442 0.442
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0013 0.0013
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.0013 0.0028
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0087 0.0097 0.0056
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0013 0.0013
Leishmania major dihydroorotate dehydrogenase 0.5904 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.01 0.0118 0.0238
Schistosoma mansoni voltage-gated potassium channel 0.021 0.0307 0.0307
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0044 0.0022 0.0049
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.01 0.0118 0.0238
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2626 0.442 1
Trypanosoma cruzi histone deacetylase, putative 0.2238 0.3758 0.3732
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0044 0.0022 0.0049
Plasmodium vivax histone deacetylase, putative 0.1427 0.2377 0.2345
Echinococcus granulosus hyperpolarization activated cyclic 0.0038 0.0013 0.0028
Trypanosoma brucei histone deacetylase 1 0.2626 0.442 0.4396
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0282 0.0428 0.0966
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0038 0.0013 0.0028
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2305 0.3873 0.876
Loa Loa (eye worm) hypothetical protein 0.1198 0.1987 0.4495
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0022 0.0049
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0055 0.0041 0.0092
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0124 0.0159 0.0358
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2305 0.3873 0.3848
Echinococcus multilocularis histone deacetylase 1 0.2626 0.442 1
Loa Loa (eye worm) hypothetical protein 0.1066 0.1764 0.399
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.01 0.0118 0.0105
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0169 0.0235 0.0531
Schistosoma mansoni histone deacetylase hda2 0.1066 0.1764 0.1764
Brugia malayi histone deacetylase 3 (HD3) 0.2626 0.442 0.4412
Trypanosoma brucei histone deacetylase, putative 0.2238 0.3758 0.3732
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.5904 1 0.5
Brugia malayi Histone deacetylase family protein 0.2238 0.3758 0.375
Schistosoma mansoni tyrosine kinase 0.0044 0.0022 0.0022
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.004 0.0016 0.0035
Brugia malayi Zinc finger, C2H2 type family protein 0.2305 0.3873 0.3865
Loa Loa (eye worm) hypothetical protein 0.0351 0.0546 0.1234
Echinococcus granulosus histone deacetylase 8 0.1066 0.1764 0.399
Plasmodium falciparum histone deacetylase 2 0.2238 0.3758 0.3732
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0193 0.0276 0.0624
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0304 0.0466 0.1053
Echinococcus multilocularis histone deacetylase 6 0.2264 0.3803 0.8604
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0013 0.0013
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2305 0.3873 0.876
Trypanosoma cruzi histone deacetylase, putative 0.1066 0.1764 0.1729
Echinococcus multilocularis histone deacetylase 0.2238 0.3758 0.8503
Trypanosoma cruzi histone deacetylase, putative 0.2238 0.3758 0.3732
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0092 0.0105 0.0237
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0203 0.0294 0.0566
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0317 0.0488 0.1076
Trichomonas vaginalis histone deacetylase, putative 0.2626 0.442 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0044 0.0022 0.0049
Toxoplasma gondii histone deacetylase HDAC2 0.2626 0.442 0.4396
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0055 0.0041 0.0041
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0043 0.0043
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0038 0.0013 0.0028
Echinococcus multilocularis histone deacetylase 3 0.2626 0.442 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0193 0.0276 0.0264
Echinococcus granulosus histone deacetylase 6 0.2238 0.3758 0.8503

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 384 nM In vitro concentration required to inhibit peak currents in cerebral cortical neurones of rat ChEMBL. 15658856
Ki (binding) = 109 nM Displacement of [3H]-muscimol from rat brain gamma-aminobutyric-acid GABA-A receptor ChEMBL. 15658856
Ki (binding) = 109 nM Displacement of [3H]-muscimol from rat brain gamma-aminobutyric-acid GABA-A receptor ChEMBL. 15658856

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

1 literature reference was collected for this gene.

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