TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.599 | Formula: C25H32N2O2S
H donors: 0 H acceptors: 0 LogP: 5.71 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCSC1CCc2c1cc(/N=C/N1CCc3c(C1)cc(c(c3)OC)OC)cc2
InChi: 1S/C25H32N2O2S/c1-4-5-12-30-25-9-7-18-6-8-21(15-22(18)25)26-17-27-11-10-19-13-23(28-2)24(29-3)14-20(19)16-27/h6,8,13-15,17,25H,4-5,7,9-12,16H2,1-3H3/b26-17+
InChiKey: FRMIPKWMBQUOCY-YZSQISJMSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholinergic receptor, muscarinic 4	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0033	0.0597	0.8517
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.0399	1
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0597	0.1134
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0701	1
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.2253	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0383
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0201	0.2874
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0606	0.8651
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.5469
Schistosoma mansoni	peroxidasin	0.0243	0.5265	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0033	0.0597	0.1134
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.016	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0033	0.0597	0.0597
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0383
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.1106
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0201	0.0305
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0456	1	1
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0201	0.0201
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0383
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0201	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0033	0.0597	0.0903
Onchocerca volvulus	Dual oxidase homolog	0.0243	0.5265	1
Leishmania major	glucose transporter, lmgt3	0.0033	0.0606	0.8651
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0383
Brugia malayi	Blistered cuticle protein 3	0.0243	0.5265	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0201	0.5052
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Trypanosoma cruzi	hexose transporter	0.0033	0.0606	0.8651
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0033	0.0597	0.1134
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0383
Echinococcus multilocularis	calcium dependent protein kinase	0.0031	0.0552	0.1048
Entamoeba histolytica	hypothetical protein	0.0024	0.0399	0.6679
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	animal heme peroxidase	0.0243	0.5265	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0399	1
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0383
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.1769
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0201	0.6328
Plasmodium vivax	hexose transporter	0.0107	0.2253	0.2253
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.1106
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0701	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0243	0.5265	1
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0383
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0383
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.5689
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0383
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	1
Plasmodium falciparum	protein kinase 7	0.0303	0.6612	0.6612
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0399	0.0757
Plasmodium vivax	proline--tRNA ligase, putative	0.0038	0.0701	0.0701
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0383
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0201	0.0383
Leishmania major	glucose transporter, lmgt2	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus	Chorion peroxidase homolog	0.0243	0.5265	1
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Onchocerca volvulus	Peroxidasin homolog	0.0243	0.5265	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0606	0.8651
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0107	0.2253	0.428
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Brugia malayi	Cam kinase protein 1	0.0033	0.0597	0.1134
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0033	0.0597	0.0903
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0033	0.0597	0.0597
Echinococcus granulosus	peroxidasin	0.0243	0.5265	1
Brugia malayi	Animal haem peroxidase family protein	0.0243	0.5265	1
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.8651
Toxoplasma gondii	facilitative glucose transporter GT1	0.0107	0.2253	0.3408
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	General substrate transporter	0.0092	0.1918	0.3643
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0201	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0033	0.0597	0.1134
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0201	0.5052
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0582	1
Echinococcus multilocularis	peroxidasin	0.0243	0.5265	1
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0201	0.0305
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Onchocerca volvulus	Peroxidase homolog	0.0243	0.5265	1
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0597	0.2648
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0448	0.085
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0383
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.027	0.386
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0606	0.8651
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.1106
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.0399	0.0757
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0333	0.1477
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Plasmodium vivax	sugar transporter, putative	0.0015	0.0201	0.0201
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.9752
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0033	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Leishmania major	hypothetical protein, conserved	0.0015	0.0201	0.2874
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.0399	0.0757
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Schistosoma mansoni	glucose transport protein	0.0107	0.2253	0.428
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Brugia malayi	Peroxidasin	0.0243	0.5265	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0201	0.0894
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.0399	0.6849
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.1106
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0201	0.0305
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Loa Loa (eye worm)	animal heme peroxidase	0.0243	0.5265	1
Plasmodium falciparum	proline--tRNA ligase	0.0038	0.0701	0.0701
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0383
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.0399	0.0603
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0033	0.0597	0.0903
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0173	0.3724	0.3724
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.1106
Leishmania major	protein kinase, putative	0.0033	0.0597	0.8517
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0201	0.0383
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0201	0.0383
Schistosoma mansoni	protein kinase	0.0033	0.0597	0.1134
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0033	0.0597	0.0597
Loa Loa (eye worm)	sugar transporter	0.0107	0.2253	0.428
Loa Loa (eye worm)	sugar transporter	0.0015	0.0201	0.0383
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0038	0.0701	0.106
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0119	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Entamoeba histolytica	protein kinase, putative	0.0033	0.0597	1
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	hypothetical protein	0.0107	0.2253	0.428
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0033	0.0597	0.0597
Leishmania major	glucose transporter, lmgt1	0.0033	0.0606	0.8651
Onchocerca volvulus		0.0243	0.5265	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus	Peroxidase homolog	0.0243	0.5265	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.0399	0.0757
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.0399	0.6849
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0201	0.2874
Onchocerca volvulus		0.0243	0.5265	1
Onchocerca volvulus	Peroxidasin homolog	0.0243	0.5265	1
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Schistosoma mansoni	glucose transporter	0.0015	0.0201	0.0383
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0033	0.0597	0.1134
Echinococcus granulosus	calcium dependent protein kinase	0.0031	0.0552	0.1048
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0201	0.0305
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.5689
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Animal haem peroxidase family protein	0.0243	0.5265	1
Giardia lamblia	Sugar-proton symporter	0.0015	0.0201	0.346
Schistosoma mansoni	glucose transport protein	0.0107	0.2253	0.428
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0701	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0383
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.5689
Mycobacterium ulcerans	sugar transporter	0.0015	0.0201	0.5052
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0383
Schistosoma mansoni	peroxidasin	0.0243	0.5265	1
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Brugia malayi	Animal haem peroxidase family protein	0.0243	0.5265	1
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0383
Plasmodium falciparum	hexose transporter	0.0107	0.2253	0.2253
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0383
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.1106
Schistosoma mansoni	protein kinase	0.0033	0.0597	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0399	0.0757
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0399	1
Loa Loa (eye worm)	animal heme peroxidase	0.0243	0.5265	1
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2874
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0119	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.1106
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0701	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0173	0.3724	0.3724
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0033	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0383
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0173	0.3724	0.5632
Loa Loa (eye worm)	animal heme peroxidase	0.0243	0.5265	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.8651
Schistosoma mansoni	protein kinase	0.0033	0.0597	0.1134
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0318	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Brugia malayi	Sugar transporter family protein	0.0107	0.2253	0.428
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0201	0.5052
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0033	0.0597	0.0597
Entamoeba histolytica	protein kinase, putative	0.0033	0.0597	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.2583
Giardia lamblia	Hexose transporter	0.0015	0.0201	0.346
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0033	0.0597	0.0597
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0201	0.0383
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.1106
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0201	1
Echinococcus granulosus	General substrate transporter	0.0092	0.1918	0.3643
Schistosoma mansoni	glucose transport protein	0.0107	0.2253	0.428
Brugia malayi	Animal haem peroxidase family protein	0.0243	0.5265	1
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0383
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.1134
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0107	0.2253	0.428
Toxoplasma gondii	protein kinase, putative	0.0303	0.6612	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0597	0.1134
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0119	0.2978
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.8651
Brugia malayi	Animal haem peroxidase family protein	0.0243	0.5265	1
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0033	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5265	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0201	0.6328
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0701	1
Onchocerca volvulus		0.0243	0.5265	1
Brugia malayi	hypothetical protein	0.0243	0.5265	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0383
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0399	0.0757
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0383

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.1 uM	Displacement of [3H]spiperone from dopamine D2 receptor	ChEMBL.	17317171
Ki (binding)	= 3.1 uM	Displacement of [3H]spiperone from dopamine D2 receptor	ChEMBL.	17317171
Ki (binding)	= 4.5 uM	Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor	ChEMBL.	17317171
Ki (binding)	= 4.5 uM	Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor	ChEMBL.	17317171
Ki (binding)	= 36 uM	Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells	ChEMBL.	17317171
Ki (binding)	= 36 uM	Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells	ChEMBL.	17317171
Ratio Ki (binding)	= 0.09	Selectivity for 5HT7 receptor over dopamine D2 receptor	ChEMBL.	17317171

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: CHEMBL429644

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 454716