TDR Targets

Basic information

Technical information

TDR Targets ID: 221509
Name: 1'-(3-methylphenyl)sulfonylspiro[indene-1,4'- piperidine]
MW: 339.451 | Formula: C20H21NO2S
H donors: 0 H acceptors: 2 LogP: 4.21 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1
InChi: 1S/C20H21NO2S/c1-16-5-4-7-18(15-16)24(22,23)21-13-11-20(12-14-21)10-9-17-6-2-3-8-19(17)20/h2-10,15H,11-14H2,1H3
InChiKey: LXURPPOZXNGGAE-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1'-(m-tolylsulfonyl)spiro[indene-1,4'-piperidine]

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Vasopressin receptor	Starlite/ChEMBL	References
Rattus norvegicus	Oxytocin receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	orexin receptor type 2	Oxytocin receptor	388 aa	338 aa	24.3 %
Loa Loa (eye worm)	hypothetical protein	Vasopressin receptor	425 aa	370 aa	24.3 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Vasopressin receptor	425 aa	355 aa	26.2 %
Echinococcus multilocularis	neuropeptide receptor	Oxytocin receptor	388 aa	324 aa	21.6 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Oxytocin receptor	388 aa	327 aa	19.3 %
Echinococcus granulosus	neuropeptide receptor	Oxytocin receptor	388 aa	324 aa	21.9 %
Echinococcus granulosus	allatostatin A receptor	Oxytocin receptor	388 aa	313 aa	23.6 %
Onchocerca volvulus		Vasopressin receptor	425 aa	392 aa	21.9 %
Echinococcus multilocularis	allatostatin A receptor	Oxytocin receptor	388 aa	311 aa	21.9 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Oxytocin receptor	388 aa	346 aa	24.0 %
Echinococcus multilocularis	orexin receptor type 2	Oxytocin receptor	388 aa	332 aa	23.2 %
Onchocerca volvulus	Phospholipase d-related homolog	Oxytocin receptor	388 aa	330 aa	20.0 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Oxytocin receptor	388 aa	349 aa	22.9 %
Onchocerca volvulus		Oxytocin receptor	388 aa	327 aa	23.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Oxytocin receptor	388 aa	323 aa	21.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0141	0.0383	0.0383
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0141	0.0383	0.0383
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0049	0.0034
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0141	0.0383	0.0383
Onchocerca volvulus		0.0141	0.0383	0.0847
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0064	0.03
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0005	0.0005
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0141	0.0383	0.0383
Brugia malayi	Sugar transporter family protein	0.0102	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0049	0.0049
Brugia malayi	hypothetical protein	0.0054	0.012	0.012
Brugia malayi	Cation transporter family protein	0.0141	0.0383	0.0383
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0054	0.012	0.012
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0051	0.0053
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0051	0.0053
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Onchocerca volvulus		0.0054	0.012	0.0266
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.3308	1	1
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0026	0.0026
Schistosoma mansoni	glucose transport protein	0.0102	0.0266	0.0266
Echinococcus granulosus	General substrate transporter	0.0088	0.0223	0.0223
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0049	0.0049
Brugia malayi	hypothetical protein	0.0054	0.012	0.012
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0049	0.1228
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0053	0.0247
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.3232	0.977	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0106	0.0106
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0141	0.0383	0.0383
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0005	0.0005
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0064	0.0064
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0106	0.0106
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0165	0.0457	0.0468
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0141	0.0383	0.0383
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Leishmania major	protein kinase, putative	0.0031	0.0051	0.0053
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0049	0.0049
Onchocerca volvulus		0.1505	0.4525	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Echinococcus multilocularis	nAChR subunit	0.0141	0.0383	0.0383
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0141	0.0383	0.0383
Schistosoma mansoni	neurotransmitter gated ion channel	0.0054	0.012	0.012
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.3232	0.977	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Echinococcus multilocularis	General substrate transporter	0.0088	0.0223	0.0223
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0053	0.0054
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0053	0.0247
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0045	0.0045
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0106	0.0106
Loa Loa (eye worm)	acetylcholine receptor protein	0.0054	0.012	0.012
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0051	0.0053
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0026	0.0026
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0017	0.008
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0065	0.0066
Loa Loa (eye worm)	thymidylate synthase	0.1505	0.4525	0.4525
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0064	0.0065
Mycobacterium ulcerans	thymidylate synthase	0.1505	0.4525	0.4525
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0005	0.0005
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0049	0.0232
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0026	0.5182
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0141	0.0383	0.0383
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0141	0.0383	0.0383
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0054	0.012	0.012
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.0266	0.0273
Echinococcus granulosus	dihydrofolate reductase	0.3308	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0141	0.0383	0.0383
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0005	0.0005
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0005	0.0005
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0141	0.0383	0.0383
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0049	0.0049
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0065	0.0066
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0005	0.0005
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0026	0.0026
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0165	0.0457	0.0468
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0065	0.0066
Echinococcus multilocularis	glycine receptor subunit beta	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0032	0.0032
Onchocerca volvulus		0.0141	0.0383	0.0847
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0053	0.0247
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0051	0.0241
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0106	0.0106
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0051	0.0053
Onchocerca volvulus		0.0087	0.0219	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0165	0.0457	0.0468
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.0266	0.1251
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0064	0.0065
Brugia malayi	Cation transporter family protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0051	0.0051
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0005	0.0005
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0065	0.0066
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0054	0.012	0.012
Onchocerca volvulus		0.0141	0.0383	0.0847
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.0266	0.0266
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0026	0.0026
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0015	0.0015
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0026	0.012
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0141	0.0383	0.0383
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0049	0.0049
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0141	0.0383	0.0383
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0065	0.0066
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0051	0.0053
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0005	0.0005
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Entamoeba histolytica	transcription factor BTF3, putative	0.0035	0.0064	0.1979
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Echinococcus granulosus	nAChR subunit	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Echinococcus multilocularis	thymidylate synthase	0.1505	0.4525	0.4525
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0087	0.0219	0.0219
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0141	0.0383	0.0383
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	sugar transporter	0.0102	0.0266	0.0266
Loa Loa (eye worm)	dihydrofolate reductase	0.3308	1	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1505	0.4525	0.4525
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Loa Loa (eye worm)	GABA receptor subunit	0.0087	0.0219	0.0219
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.3232	0.977	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Brugia malayi	hypothetical protein	0.0054	0.012	0.012
Schistosoma mansoni	protein kinase	0.0031	0.0051	0.0051
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0026	0.001
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Onchocerca volvulus		0.0054	0.012	0.0266
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0005	0.0005
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0054	0.012	0.012
Toxoplasma gondii	protein kinase, putative	0.0288	0.0832	0.0852
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0026	0.0026
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0064	0.0064
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0087	0.0219	0.0219
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0053	0.0054
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0026	0.0026
Schistosoma mansoni	glucose transport protein	0.0102	0.0266	0.0266
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0051	0.0053
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0064	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0054	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Schistosoma mansoni	acetylcholine receptor-related	0.0054	0.012	0.012
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0716	0.213	0.218
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0065	0.0066
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0141	0.0383	0.0383
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0051	0.0053
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0009	0.0009
Schistosoma mansoni	glucose transport protein	0.0102	0.0266	0.0266
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0045	0.0045
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0141	0.0383	0.0383
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0141	0.0383	0.0383
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0054	0.012	0.012
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0064	0.03
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0064	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0005	0.0005
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0049	0.0049
Onchocerca volvulus		0.0141	0.0383	0.0847
Echinococcus granulosus	geminin	0.0172	0.0478	0.0478
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Leishmania major	glucose transporter, lmgt2	0.0032	0.0053	0.0054
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0053	0.0054
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0051	0.0053
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0141	0.0383	0.0383
Entamoeba histolytica	hypothetical protein	0.0087	0.0219	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Echinococcus granulosus	glycine receptor subunit beta	0.0141	0.0383	0.0383
Leishmania major	glucose transporter, lmgt1	0.0032	0.0053	0.0054
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0049	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0141	0.0383	0.0383
Plasmodium falciparum	protein kinase 6	0.0433	0.1272	0.1302
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Entamoeba histolytica	protein kinase, putative	0.0031	0.0051	0.1327
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0054	0.012	0.012
Echinococcus multilocularis	dihydrofolate reductase	0.3308	1	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0065	0.0066
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0051	0.0051
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0141	0.0383	0.0383
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0053	0.0054
Loa Loa (eye worm)	ACC-1 protein	0.0141	0.0383	0.0383
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0141	0.0383	0.0383
Trypanosoma cruzi	hexose transporter	0.0032	0.0053	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0005	0.0005
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0054	0.012	0.012
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0141	0.0383	0.0383
Schistosoma mansoni	dihydrofolate reductase	0.3308	1	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0141	0.0383	0.0383
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0026	0.0026
Brugia malayi	beta-NAC-like protein	0.0035	0.0064	0.0064
Echinococcus multilocularis	nAChR subunit	0.0087	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0141	0.0383	0.0383
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0005	0.0005
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0026	0.0026
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0053	0.0054
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0053	0.0247
Mycobacterium tuberculosis	Hypothetical protein	0.0716	0.213	0.213
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0015	0.0015
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0054	0.012	0.012
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0087	0.0219	0.0219
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0141	0.0383	0.0383
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0053	0.0247
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0064	0.0065
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0005	0.0005
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.3232	0.977	1
Onchocerca volvulus		0.0054	0.012	0.0266
Brugia malayi	excitatory GABA receptor EXP-1A	0.0141	0.0383	0.0383
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0026	0.0026
Brugia malayi	hypothetical protein	0.0054	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Schistosoma mansoni	hypothetical protein	0.0102	0.0266	0.0266
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0087	0.0219	0.0219
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0051	0.0053
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0053	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Echinococcus granulosus	thymidylate synthase	0.1505	0.4525	0.4525
Chlamydia trachomatis	dihydrofolate reductase	0.3308	1	1
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0064	0.0065
Entamoeba histolytica	protein kinase, putative	0.0031	0.0051	0.1327
Onchocerca volvulus		0.0141	0.0383	0.0847
Schistosoma mansoni	nAChR subunit	0.0054	0.012	0.012
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0064	0.0065
Brugia malayi	Dihydrofolate reductase	0.3308	1	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1505	0.4525	0.4525
Schistosoma mansoni	transcription factor btf3	0.0035	0.0064	0.0064
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0141	0.0383	0.0383
Schistosoma mansoni	neurotransmitter gated ion channel	0.0054	0.012	0.012
Brugia malayi	Cam kinase protein 1	0.0031	0.0051	0.0051
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0141	0.0383	0.0383
Plasmodium falciparum	hexose transporter	0.0102	0.0266	0.0273
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0051	0.0053
Entamoeba histolytica	hypothetical protein	0.0035	0.0064	0.1979
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0064	0.03
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0054	0.012	0.012
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0053	0.0054
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0026	0.0026
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0141	0.0383	0.0383
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0141	0.0383	0.0383
Onchocerca volvulus	Putative nachr subunit	0.0141	0.0383	0.0847
Plasmodium falciparum	protein kinase 7	0.0288	0.0832	0.0852
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1505	0.4525	0.4517
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0051	0.0053
Loa Loa (eye worm)	ACC-1 protein	0.0141	0.0383	0.0383
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0005	0.0005
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0141	0.0383	0.0383
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0141	0.0383	0.0383
Echinococcus granulosus	transcription factor btf3	0.0035	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0051	0.0051
Onchocerca volvulus		0.0141	0.0383	0.0847
Schistosoma mansoni	hypothetical protein	0.0172	0.0478	0.0478
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0087	0.0219	0.0219
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0051	0.0051
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0106	0.0106
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0053	0.0054
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0054	0.012	0.012
Leishmania major	glucose transporter, lmgt3	0.0032	0.0053	0.0054
Brugia malayi	hypothetical protein	0.0716	0.213	0.213
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0141	0.0383	0.0383
Schistosoma mansoni	neurotransmitter gated ion channel	0.0087	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0005	0.0005
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0087	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0051	0.0051
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.3308	1	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0141	0.0383	0.0383
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0054	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0051	0.0053
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0054	0.012	0.012
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0141	0.0383	0.0383
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0053	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0053	0.0247
Schistosoma mansoni	nAChR subunit	0.0141	0.0383	0.0383
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0141	0.0383	0.0383
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0026	0.0026
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0051	0.0053
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0433	0.1272	0.1302
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0141	0.0383	0.0383
Echinococcus multilocularis	glycine receptor subunit beta	0.0141	0.0383	0.0383
Schistosoma mansoni	hypothetical protein	0.0172	0.0478	0.0478
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0141	0.0383	0.0383
Echinococcus multilocularis	geminin	0.0172	0.0478	0.0478
Brugia malayi	Cation transporter family protein	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0065	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0026	0.0026
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0053	0.0247
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0219	0.0219
Plasmodium vivax	hexose transporter	0.0102	0.0266	0.0273
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0053	0.0054
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0141	0.0383	0.0383
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0141	0.0383	0.0383
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0141	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0049	0.0049
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0049	0.0049
Schistosoma mansoni	protein kinase	0.0031	0.0051	0.0051
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.3232	0.977	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.012	0.012
Schistosoma mansoni	protein kinase	0.0031	0.0051	0.0051
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.3308	1	1
Echinococcus granulosus	glycine receptor subunit beta	0.0141	0.0383	0.0383
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0106	0.0106
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0266	0.0266
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0054	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0383	0.0383
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0054	0.012	0.012
Echinococcus granulosus	nAChR subunit	0.0087	0.0219	0.0219
Brugia malayi	thymidylate synthase	0.1505	0.4525	0.4525
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0106	0.0106
Onchocerca volvulus		0.0087	0.0219	0.0485
Schistosoma mansoni	nAChR subunit	0.0054	0.012	0.012
Loa Loa (eye worm)	LGC-31 protein	0.0141	0.0383	0.0383
Trichomonas vaginalis	conserved hypothetical protein	0.0716	0.213	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.3232	0.977	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue	ChEMBL.	1331449
IC50 (binding)	> 10 uM	Half-maximal inhibition of binding of [3H]-vasopressin to vaspressin receptor 1 in rat liver	ChEMBL.	1331449
IC50 (binding)	> 10 uM	Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney	ChEMBL.	1331449
IC50 (binding)	> 10 uM	Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue	ChEMBL.	1331449
IC50 (binding)	> 10 uM	Half-maximal inhibition of binding of [3H]-vasopressin to vaspressin receptor 1 in rat liver	ChEMBL.	1331449
IC50 (binding)	> 10 uM	Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney	ChEMBL.	1331449

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

ChEMBL: CHEMBL125350
PubChem: 10404940

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 221509