TDR Targets

Basic information

Technical information

TDR Targets ID: 1821179
Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3- yl] quinoline-3-carboxylate
MW: 296.364 | Formula: C18H20N2O2
H donors: 0 H acceptors: 2 LogP: 3.26 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1[C@@H]2CC[C@H]1C[C@H](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/t14-,15+,16+
InChiKey: SDOBRINCJGXIRO-ZSHCYNCHSA-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

3-quinolinecarboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
quinoline-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glycine receptor subunit alpha-1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	GABA receptor subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma japonicum	ko:K05195 glycine receptor, alpha 3, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma japonicum	Glycine receptor subunit alpha-3 precursor, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma japonicum	ko:K05194 glycine receptor, alpha 2, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Brugia malayi	Cation transporter family protein	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286

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	Glycine receptor subunit alpha-1	457 aa	434 aa	25.6 %
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	Glycine receptor subunit alpha-1	457 aa	407 aa	29.5 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	Glycine receptor subunit alpha-1	457 aa	468 aa	25.4 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	422 aa	29.6 %
Loa Loa (eye worm)	hypothetical protein	Glycine receptor subunit alpha-1	457 aa	401 aa	30.2 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	447 aa	31.5 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	416 aa	27.4 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	430 aa	34.2 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	429 aa	30.1 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	438 aa	29.5 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Glycine receptor subunit alpha-1	457 aa	434 aa	30.4 %
Onchocerca volvulus	Putative cys-loop ligand gated ion channel subunit	Glycine receptor subunit alpha-1	457 aa	426 aa	38.5 %

Ranking Plot

Putative Targets List

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

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.26	Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry	ChEMBL.	19726200
IC50 (binding)	= 5.72	Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry	ChEMBL.	19726200
IC50 (binding)	= 7.14	Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry	ChEMBL.	19726200
Ratio IC50 (binding)	= 76	Selectivity ratio of IC50 for GlyR low affinity site to IC50 for GlyR high affinity site in Wistar rat spinal cord	ChEMBL.	19726200

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

ChEMBL: CHEMBL3084713

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1821179