TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.407 | Formula: C19H25NO3
H donors: 0 H acceptors: 1 LogP: 3.79 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1Cc2c(O1)c(cc(c2)C)C(=O)OC1CC2CCC(C1)N2C
InChi: 1S/C19H25NO3/c1-11-6-13-8-12(2)22-18(13)17(7-11)19(21)23-16-9-14-4-5-15(10-16)20(14)3/h6-7,12,14-16H,4-5,8-10H2,1-3H3
InChiKey: HBEXMCMIWXPPAH-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	phosphatidylinositol 3	0.1725	0.3327	0.3324
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	0.0608
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0332	0.0608	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0973	0.1859	0.1855
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.5144	1	1
Plasmodium vivax	hypothetical protein	0.0332	0.0608	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0004	0.0004
Echinococcus granulosus	hyperpolarization activated cyclic	0.0023	0.0005	0.0005
Loa Loa (eye worm)	phosphatidylinositol 3	0.0332	0.0608	0.0604
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0058	0.0073	0.0073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0332	0.0608	0.0604
Schistosoma mansoni	voltage-gated potassium channel	0.0126	0.0206	0.0201
Entamoeba histolytica	hypothetical protein	0.0332	0.0608	0.0608
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0108	0.017	0.0166
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0023	0.0005	0.0005
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0332	0.0608	0.0793
Trichomonas vaginalis	conserved hypothetical protein	0.0641	0.1211	0.1207
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.5144	1	1
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0058	0.0073	0.1196
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1725	0.3327	0.3311
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0332	0.0608	0.0604
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0058	0.0073	0.0068
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0332	0.0608	0.0604
Leishmania major	phosphatidylinositol kinase, putative	0.0332	0.0608	0.0539
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.2136	0.413	0.4116
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0332	0.0608	0.0793
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1725	0.3327	0.3278
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0332	0.0608	0.0608
Echinococcus granulosus	serine/threonine protein kinase	0.0023	0.0004	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5144	1	1
Entamoeba histolytica	protein kinase, putative	0.0031	0.0021	0.002
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0973	0.1859	0.1855
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0585
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0641	0.1211	0.1207
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0058	0.0073	0.0049
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0058	0.0073	0.0068
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.4095	0.7954	0.7949
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3073	0.5959	0.5957
Schistosoma mansoni	hypothetical protein	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2773	0.5373	0.5371
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.5144	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0332	0.0608	0.0604
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0332	0.0608	0.0608
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1725	0.3327	0.3327
Onchocerca volvulus		0.0332	0.0608	0.5
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0973	0.1859	0.1856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0332	0.0608	0.0608
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.4095	0.7954	0.7939
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0058	0.0073	0.0049
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0332	0.0608	0.0608
Toxoplasma gondii	FATC domain-containing protein	0.0973	0.1859	0.2482
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0033	0.0025	0.0025
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.5144	1	1
Echinococcus multilocularis	fk506 binding protein	0.0058	0.0073	0.0073
Entamoeba histolytica	protein kinase, putative	0.0033	0.0025	0.0024
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0332	0.0608	0.0585
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0332	0.0608	0.0608
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0332	0.0608	0.0604
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0004	0.0004
Giardia lamblia	GTOR	0.5144	1	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0332	0.0608	0.0608
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	0.0539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3043	0.59	0.5898
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0058	0.0073	0.0073
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2773	0.5373	0.5371
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0058	0.0073	0.5
Entamoeba histolytica	hypothetical protein	0.0332	0.0608	0.0608
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3073	0.5959	0.5957
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0752	0.1428	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1211	0.1207
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0332	0.0608	0.0604
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	0.0608
Leishmania major	hypothetical protein, unknown function	0.0332	0.0608	0.0539
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.005	0.0058	0.0058
Mycobacterium leprae	conserved hypothetical protein	0.0332	0.0608	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0332	0.0608	0.0604
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0332	0.0608	0.0793
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0058	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0025	0.0021
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0973	0.1859	0.1855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2777	0.5381	0.5379
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0332	0.0608	0.0604
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.5144	1	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.3826	0.7427	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0332	0.0608	0.0608
Trichomonas vaginalis	fk506-binding protein, putative	0.0058	0.0073	0.0068
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5144	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0973	0.1859	0.1859
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0058	0.0073	0.0073
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1725	0.3327	0.3324
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0973	0.1859	0.1859
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0332	0.0608	0.0585
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0023	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0752	0.1428	0.1424
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002
Trichomonas vaginalis	immunophilin, putative	0.0058	0.0073	0.0068
Schistosoma mansoni	immunophilin	0.005	0.0058	0.0053
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0332	0.0608	0.0604
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0332	0.0608	0.0604
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0115	0.0185	0.018
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0033	0.0025	0.0021
Loa Loa (eye worm)	hypothetical protein	0.1084	0.2076	0.2072
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1725	0.3327	0.3327
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0058	0.0073	0.0073
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1725	0.3327	0.3324
Echinococcus granulosus	serine protein kinase ATM	0.0973	0.1859	0.1859
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0033	0.0025	0.0025
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0973	0.1859	0.1859
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0023	0.0005	0.0005
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0023	0.0005	0.0005
Loa Loa (eye worm)	phosphatidylinositol 3	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.138	0.2654	0.2651
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3043	0.59	0.5898
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0058	0.0073	0.1196
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0023	0.0005	0.0005
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.1048	0.2006	0.2002
Loa Loa (eye worm)	hypothetical protein	0.005	0.0058	0.0053
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0641	0.1211	0.1211
Trypanosoma cruzi	Protein kinase B	0.0023	0.0004	0.0004
Schistosoma mansoni	voltage-gated potassium channel	0.0126	0.0206	0.0201
Onchocerca volvulus		0.0332	0.0608	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0973	0.1859	0.1855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2777	0.5381	0.5379
Echinococcus multilocularis		0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0608
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0332	0.0608	0.0793
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4091	0.7946	0.7945
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0752	0.1428	0.1428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5144	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0332	0.0608	0.0604
Echinococcus multilocularis	Zinc finger, PHD finger	0.0332	0.0608	0.0608
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1725	0.3327	0.3327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4391	0.8532	0.8531
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0332	0.0608	0.0604
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0332	0.0608	0.0604
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0332	0.0608	0.0608
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0058	0.0073	0.0073
Plasmodium vivax	hypothetical protein, conserved	0.0332	0.0608	1
Entamoeba histolytica	hypothetical protein	0.0332	0.0608	0.0608
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0332	0.0608	0.0604
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1725	0.3327	0.3278
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0973	0.1859	0.1859
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	0.0585
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2773	0.5373	0.5371
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4091	0.7946	0.7945
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2777	0.5381	0.5379
Loa Loa (eye worm)	hypothetical protein	0.01	0.0155	0.0151
Echinococcus multilocularis	serine protein kinase ATM	0.0973	0.1859	0.1859
Loa Loa (eye worm)	FKBP5 protein	0.0058	0.0073	0.0068
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0332	0.0608	0.0608
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0058	0.0073	0.0069
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0332	0.0608	0.0604
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0973	0.1859	0.1839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0332	0.0608	0.0604
Loa Loa (eye worm)	phosphatidylinositol 3	0.0332	0.0608	0.0604
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.005	0.0058	0.0058
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0332	0.0608	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0023	0.0005	0.0005
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0058	0.0073	0.0073
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0023	0.0005	0.0005
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0058	0.0073	0.5
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0332	0.0608	0.0608
Trichomonas vaginalis	conserved hypothetical protein	0.0752	0.1428	0.1424
Entamoeba histolytica	hypothetical protein	0.0973	0.1859	0.1859
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0332	0.0608	0.0604
Echinococcus multilocularis	voltage gated potassium channel	0.0033	0.0025	0.0025
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	0.0604
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0332	0.0608	0.0608
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002
Schistosoma mansoni	voltage-gated potassium channel	0.0033	0.0025	0.0021
Entamoeba histolytica	hypothetical protein	0.0332	0.0608	0.0608
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0058	0.0073	0.0068
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0608
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0058	0.0073	0.0073
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.5144	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1084	0.2076	0.2775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Brugia malayi	Protein kinase domain containing protein	0.0033	0.0025	0.002
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0608
Leishmania major	hypothetical protein, conserved	0.0332	0.0608	0.0539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0332	0.0608	0.0608
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0332	0.0608	0.0608
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0332	0.0608	0.0604
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0332	0.0608	0.0608
Brugia malayi	FAT domain containing protein	0.0752	0.1428	0.1424
Trichomonas vaginalis	PIKK family atypical protein kinase	0.345	0.6695	0.6693
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3826	0.7427	0.7426
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0108	0.017	0.0166
Echinococcus granulosus	hyperpolarization activated cyclic	0.0023	0.0005	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.1084	0.2076	0.2072
Schistosoma mansoni	hypothetical protein	0.0752	0.1428	0.1424
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0332	0.0608	0.0539
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0332	0.0608	0.0608
Giardia lamblia	Hypothetical protein	0.0332	0.0608	0.0608
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0332	0.0608	0.0539
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0973	0.1859	0.1856
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0058	0.0073	0.0073
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.5144	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0023	0.0005	0.0005
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0332	0.0608	0.0608
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0115	0.0185	0.0185
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0332	0.0608	0.0604
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002
Trypanosoma cruzi	target of rapamycin kinase 3	0.4095	0.7954	0.7954
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0973	0.1859	0.1855
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0332	0.0608	1
Loa Loa (eye worm)	hypothetical protein	0.0973	0.1859	0.1855
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4091	0.7946	0.7945
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0033	0.0025	0.002
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0332	0.0608	0.0608
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0332	0.0608	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0608	0.0604
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0058	0.0073	0.0068
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1725	0.3327	0.3311
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4091	0.7946	0.7945
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1725	0.3327	0.3324
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0058	0.0073	0.0073
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0332	0.0608	0.0608
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	0.0608
Entamoeba histolytica	protein kinase, putative	0.0033	0.0025	0.0024
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1725	0.3327	0.3324
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0023	0.0005	0.0005
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0332	0.0608	0.0608
Echinococcus granulosus	voltage gated potassium channel	0.0033	0.0025	0.0025
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.5144	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0332	0.0608	0.0608
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0058	0.0073	0.0073
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0115	0.0185	0.0185
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1725	0.3327	0.3324
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3073	0.5959	0.5957
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0332	0.0608	0.0608
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.5144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1725	0.3327	0.3324
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0332	0.0608	0.0604
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0058	0.0073	0.0068
Brugia malayi	p70 ribosomal S6 kinase beta	0.0031	0.0021	0.0016
Loa Loa (eye worm)	phosphatidylinositol 3	0.5144	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.5144	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0033	0.0025	0.0021
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0332	0.0608	0.0793
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0332	0.0608	0.0608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3339	0.6478	0.6476
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0332	0.0608	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0115	0.0185	0.018
Schistosoma mansoni	immunophilin	0.0058	0.0073	0.0069
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0332	0.0608	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1725	0.3327	0.3324
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0031	0.0021	0.0016
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0332	0.0608	1
Entamoeba histolytica	protein kinase rad3, putative	0.0973	0.1859	0.1859
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0332	0.0608	0.0604
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0332	0.0608	0.0604
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0332	0.0608	0.0604
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.5144	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0332	0.0608	0.0604
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1725	0.3327	0.3327
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0004	0.0004
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0332	0.0608	0.0608
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0973	0.1859	0.1859
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2777	0.5381	0.5379
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0332	0.0608	0.0604
Echinococcus multilocularis	rac serine:threonine kinase	0.0023	0.0004	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0332	0.0608	0.0604
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.2432	0.4708	0.4695
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4091	0.7946	0.7945
Schistosoma mansoni	immunophilin	0.0058	0.0073	0.0069
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0332	0.0608	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0025	0.002

Activities

Activity type	Activity value	Assay description	Source	Reference
-Log KB (binding)	= 7.32	In vitro binding affinity of the compound was measured for 5-hydroxytryptamine 3 receptor in the guinea pig ileum.	ChEMBL.	1732548
ED50 (functional)	= 12.6 ug kg-1	Inhibition of 5-HT-induced bradycardia by 5-hydroxytryptamine 3+	ChEMBL.	1732548
ED50 (functional)	= 12.6 ug kg-1	Inhibition of 5-HT-induced bradycardia by 5-hydroxytryptamine 3+	ChEMBL.	1732548
ED50 (functional)	= 5168 ug kg-1	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 1000 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
ED50 (functional)	= 5168 ug kg-1	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 1000 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 0 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 10 mg/kg at 3 hours in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 0 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 10 mg/kg at 3 hours in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 3.3 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after intravenous administration of 1 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 3.3 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after intravenous administration of 1 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 12.6 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 1000 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 12.6 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 1000 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 14.4 %	5-hydroxytryptamine 3 receptor antagonistic activity was measured by the inhibition of 5H+	ChEMBL.	1732548
Inhibition (functional)	= 14.4 %	5-hydroxytryptamine 3 receptor antagonistic activity was measured by the inhibition of 5H+	ChEMBL.	1732548
Inhibition (functional)	= 66.7 %	5-hydroxytryptamine 3 receptor antagonistic activity measured by inhibition of 5-HT-induced bradycardia (iv administration 10 ug/kg dose in urethane-anesthetized rats)	ChEMBL.	1732548
Inhibition (functional)	= 66.7 %	5-hydroxytryptamine 3 receptor antagonistic activity measured by inhibition of 5-HT-induced bradycardia (iv administration 10 ug/kg dose in urethane-anesthetized rats)	ChEMBL.	1732548
Inhibition (functional)	= 74.8 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 30 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 74.8 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 10 mg/kg at 1 hour in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 74.8 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 30 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 74.8 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 10 mg/kg at 1 hour in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 78.2 %	5-hydroxytryptamine 3 receptor antagonistic activity as inhibition of 5-HT-induced bradycardia after iv administration of 100 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 78.2 %	5-hydroxytryptamine 3 receptor antagonistic activity as inhibition of 5-HT-induced bradycardia after iv administration of 100 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 5168 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 300 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548
Inhibition (functional)	= 5168 %	Compound was tested for the inhibition of 5-HT-induced bradycardia after peroral administration of 300 ug/kg dose in urethane-anesthetized rats	ChEMBL.	1732548

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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Detailed information for compound 177379