TDR Targets

Basic information

Technical information

TDR Targets ID: 100667
Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy] -7-fluoro-1,3-dihydroindol-2-one
MW: 326.365 | Formula: C19H19FN2O2
H donors: 1 H acceptors: 1 LogP: 2.41 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Cc2c(N1)c(F)ccc2OCCN1CCc2c(C1)cccc2
InChi: 1S/C19H19FN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
InChiKey: UFPMVMHWBPUCTK-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-indolin-2-one
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-2-indolinone
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-oxindole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adrenergic receptor alpha-1	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	solute carrier family 22	0.0046	0.0217	0.0602
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trypanosoma brucei	glucose transporter 1E	0.01	0.0621	0.868
Mycobacterium ulcerans	lipase LipD	0.0036	0.0145	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0145	0.0576
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0046	0.0217	0.0602
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Entamoeba histolytica	hypothetical protein	0.0072	0.0414	0.6679
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Toxoplasma gondii	transporter, major facilitator family protein	0.0046	0.0217	0.0327
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trypanosoma brucei	glucose transporter 2A	0.01	0.0621	0.868
Mycobacterium ulcerans	sugar transporter	0.0046	0.0217	0.5239
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0217	0.0956
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Brugia malayi	lysyl-tRNA synthetase	0.0072	0.0414	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0018	0.0016	0.0069
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0324	0.2266	0.6739
Plasmodium falciparum	proline--tRNA ligase	0.0113	0.0715	0.0701
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0145	0.0576
Giardia lamblia	Prolyl-tRNA synthetase	0.0097	0.0597	1
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Onchocerca volvulus	Putative transporter	0.0046	0.0217	1
Onchocerca volvulus		0.0046	0.0217	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0097	0.0597	0.2634
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0113	0.0715	1
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0034	0.0134	0.3243
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Brugia malayi	hypothetical protein	0.0046	0.0217	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0097	0.0597	0.2583
Trichomonas vaginalis	glucose transporter, putative	0.01	0.0621	0.274
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0046	0.0217	0.0201
Trichomonas vaginalis	glucose transporter, putative	0.01	0.0621	0.274
Schistosoma mansoni	lysyl-tRNA synthetase	0.0072	0.0414	0.1769
Trichomonas vaginalis	esterase, putative	0.0036	0.0145	0.0641
Echinococcus multilocularis	calcium dependent protein kinase	0.0093	0.0566	0.1649
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0145	0.0927
Leishmania major	threonyl-tRNA synthetase, putative	0.0018	0.0016	0.0218
Toxoplasma gondii	sugar transporter ST3	0.0046	0.0217	0.0327
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0217	0.0956
Schistosoma mansoni	hypothetical protein	0.017	0.1132	0.4961
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Toxoplasma gondii	glycyl-tRNA synthetase	0.0018	0.0016	0.0024
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0145	0.0576
Leishmania major	glucose transporter/membrane transporter D2, putative	0.01	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0113	0.0715	1
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Onchocerca volvulus		0.0046	0.0217	1
Giardia lamblia	Hexose transporter	0.0046	0.0217	0.346
Trypanosoma cruzi	hexose transporter, putative	0.0046	0.0217	0.303
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0099	0.0612	0.0925
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0145	0.2032
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0099	0.0612	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0061	0.0333	0.5587
Trypanosoma cruzi	hexose transporter, putative	0.0055	0.0286	0.3994
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Onchocerca volvulus		0.0046	0.0217	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0099	0.0611	0.2648
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.0611	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0046	0.0217	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0145	0.0576
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0097	0.0597	0.2583
Leishmania major	lysyl-tRNA synthetase, putative	0.0072	0.0414	0.5783
Schistosoma mansoni	protein kinase	0.0099	0.0611	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0099	0.0612	0.0925
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0145	0.0927
Chlamydia trachomatis	proline--tRNA ligase	0.0034	0.0134	0.2978
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0072	0.0414	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0097	0.0597	0.9752
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0145	0.0576
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0072	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0145	0.0576
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0099	0.0612	0.0597
Schistosoma mansoni	sugar transporter	0.0046	0.0217	0.0894
Schistosoma mansoni	hypothetical protein	0.0324	0.2266	1
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Treponema pallidum	prolyl-tRNA synthetase	0.0034	0.0134	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0046	0.0217	0.1383
Toxoplasma gondii	ABC1 family protein	0.0036	0.0145	0.022
Trypanosoma cruzi	hexose transporter, putative	0.01	0.0621	0.868
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0597	0.2583
Brugia malayi	major facilitator superfamily protein	0.0046	0.0217	0.0894
Schistosoma mansoni	glucose transporter	0.0046	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0072	0.0414	0.1769
Trichomonas vaginalis	conserved hypothetical protein	0.0324	0.2266	1
Trypanosoma cruzi	glucose transporter, putative	0.0046	0.0217	0.303
Onchocerca volvulus		0.0046	0.0217	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.01	0.0621	0.868
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0072	0.0414	0.5783
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Leishmania major	glucose transporter, lmgt1	0.01	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0046	0.0217	0.0894
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0099	0.0611	0.855
Plasmodium vivax	hexose transporter	0.0324	0.2266	0.2253
Leishmania major	glucose transporter, lmgt2	0.01	0.0621	0.868
Onchocerca volvulus		0.0046	0.0217	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0145	0.0576
Schistosoma mansoni	sugar transporter	0.0046	0.0217	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0046	0.0217	0.303
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Schistosoma mansoni	hypothetical protein	0.017	0.1132	0.4961
Toxoplasma gondii	lysine-tRNA ligase	0.0072	0.0414	0.0625
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Echinococcus multilocularis	serotonin receptor	0.0161	0.1067	0.3148
Onchocerca volvulus		0.0046	0.0217	1
Trichomonas vaginalis	glucose transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0145	0.0641
Brugia malayi	Sugar transporter family protein	0.0324	0.2266	1
Echinococcus granulosus	neuropeptide s receptor	0.0472	0.3354	1
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0621	0.274
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0161	0.1067	0.4671
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0145	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0018	0.0016	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0113	0.0715	1
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0018	0.0016	0.01
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0113	0.0715	0.1081
Echinococcus granulosus	neuropeptide receptor A26	0.0472	0.3354	1
Toxoplasma gondii	protein kinase, putative	0.0915	0.6617	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0611	0.2648
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0099	0.0612	0.0597
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0099	0.0612	0.0597
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.1567	1
Leishmania major	glucose transporter, lmgt3	0.01	0.0621	0.868
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0099	0.0611	0.2648
Brugia malayi	Cam kinase protein 1	0.0099	0.0611	0.2648
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0097	0.0597	0.174
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0145	0.0641
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0046	0.0217	0.0602
Echinococcus multilocularis	geminin	0.017	0.1132	0.3343
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0145	0.0576
Onchocerca volvulus		0.0046	0.0217	1
Echinococcus granulosus	solute carrier family 22	0.0046	0.0217	0.0602
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0072	0.0414	0.6932
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Trypanosoma cruzi	hexose transporter, putative	0.01	0.0621	0.868
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0145	0.3513
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0099	0.0611	0.1785
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Plasmodium falciparum	hexose transporter	0.0324	0.2266	0.2253
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0145	0.0927
Brugia malayi	beta-lactamase family protein	0.0036	0.0145	0.0576
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0145	0.0641
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0145	0.0576
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0097	0.0597	0.2583
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0113	0.0715	1
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0145	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0597	0.2583
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0099	0.0611	0.2648
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0046	0.0217	0.0602
Echinococcus multilocularis	solute carrier family 22	0.0046	0.0217	0.0602
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0018	0.0016	0.0218
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Brugia malayi	hypothetical protein	0.0046	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0145	0.0927
Leishmania major	protein kinase, putative	0.0099	0.0611	0.855
Plasmodium vivax	proline--tRNA ligase, putative	0.0113	0.0715	0.0701
Echinococcus multilocularis	neuropeptide s receptor	0.0472	0.3354	1
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Plasmodium vivax	lysine--tRNA ligase, putative	0.0072	0.0414	0.0399
Schistosoma mansoni	sugar transporter	0.0046	0.0217	0.0894
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0523	0.3734	0.5643
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0046	0.0217	0.1383
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0046	0.0217	0.303
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0145	0.2032
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0018	0.0016	0.0377
Giardia lamblia	Sugar-proton symporter	0.0046	0.0217	0.346
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Brugia malayi	hypothetical protein	0.0046	0.0217	0.0894
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0145	0.3513
Schistosoma mansoni	glucose transport protein	0.0324	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0145	0.3513
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0046	0.0217	1
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0145	0.0576
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0099	0.0612	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0145	0.0576
Leishmania major	hypothetical protein, conserved	0.0036	0.0145	0.2032
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Loa Loa (eye worm)	sugar transporter	0.0046	0.0217	0.0894
Plasmodium vivax	CDK-related protein kinase 6, putative	0.1374	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Schistosoma mansoni	sugar transporter	0.0046	0.0217	0.0894
Echinococcus granulosus	General substrate transporter	0.0278	0.193	0.5735
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0046	0.0217	0.5239
Loa Loa (eye worm)	sugar transporter	0.0324	0.2266	1
Brugia malayi	major facilitator superfamily protein	0.0046	0.0217	0.0894
Echinococcus granulosus	solute carrier family 22	0.0046	0.0217	0.0602
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0145	0.0927
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0099	0.0612	0.0597
Echinococcus granulosus	lysyl tRNA synthetase	0.0072	0.0414	0.1192
Brugia malayi	Sugar transporter family protein	0.0046	0.0217	0.0894
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0046	0.0217	0.5239
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Toxoplasma gondii	sugar transporter ST1	0.0046	0.0217	0.0327
Echinococcus granulosus	solute carrier family 22	0.0046	0.0217	0.0602
Schistosoma mansoni	glucose transport protein	0.0324	0.2266	1
Giardia lamblia	Lysyl-tRNA synthetase	0.0072	0.0414	0.6849
Brugia malayi	Major Facilitator Superfamily protein	0.0046	0.0217	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0046	0.0217	0.0602
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0097	0.0597	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0145	0.2032
Onchocerca volvulus		0.0046	0.0217	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0145	0.0927
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0061	0.0333	0.2128
Onchocerca volvulus		0.0046	0.0217	1
Trichomonas vaginalis	sugar transporter, putative	0.01	0.0621	0.274
Trypanosoma brucei	THT1 - hexose transporter, putative	0.01	0.0621	0.868
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0145	0.0388
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0113	0.0715	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0046	0.0217	0.0894
Onchocerca volvulus		0.0046	0.0217	1
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.01	0.0621	0.274
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0463	0.1987
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0097	0.0597	0.174
Entamoeba histolytica	protein kinase, putative	0.0099	0.0611	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0145	0.013
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0145	0.2435
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Schistosoma mansoni	protein kinase	0.0099	0.0611	0.2648
Entamoeba histolytica	protein kinase, putative	0.0099	0.0611	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0099	0.0612	0.0925
Onchocerca volvulus		0.0046	0.0217	1
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.0611	0.2699
Echinococcus multilocularis	lysyl tRNA synthetase	0.0072	0.0414	0.1192
Schistosoma mansoni	glucose transport protein	0.0324	0.2266	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0099	0.0612	0.0597
Onchocerca volvulus		0.0046	0.0217	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0145	0.0388
Brugia malayi	Sugar transporter family protein	0.0046	0.0217	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Leishmania major	hypothetical protein, conserved	0.0046	0.0217	0.303
Brugia malayi	Major Facilitator Superfamily protein	0.0046	0.0217	0.0894
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0099	0.0612	0.0597
Trypanosoma brucei	sugar transporter, putative	0.0046	0.0217	0.303
Onchocerca volvulus		0.0046	0.0217	1
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0099	0.0612	0.0597
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0018	0.0016	0.0218
Plasmodium falciparum	protein kinase 7	0.0915	0.6617	0.6612
Echinococcus multilocularis	serotonin receptor	0.0161	0.1067	0.3148
Onchocerca volvulus		0.0046	0.0217	1
Brugia malayi	Major Facilitator Superfamily protein	0.0046	0.0217	0.0894
Plasmodium falciparum	lysine--tRNA ligase	0.0072	0.0414	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0018	0.0016	0.0024
Trypanosoma cruzi	hexose transporter	0.01	0.0621	0.868
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0145	0.0927
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0063	0.0348	0.1536
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0145	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0414	0.1769
Echinococcus granulosus	calcium dependent protein kinase	0.0093	0.0566	0.1649
Mycobacterium ulcerans	integral membrane transport protein	0.0046	0.0217	0.5239
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0145	0.0576
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0324	0.2266	0.6739
Trichomonas vaginalis	sugar transport protein, putative	0.0046	0.0217	0.0956
Brugia malayi	beta-lactamase	0.0036	0.0145	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0894
Echinococcus multilocularis	neuropeptide receptor A26	0.0472	0.3354	1
Onchocerca volvulus		0.0046	0.0217	1
Schistosoma mansoni	protein kinase	0.0099	0.0611	0.2648
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0523	0.3734	0.3724
Trypanosoma brucei	glucose transporter, putative	0.01	0.0621	0.868
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0145	0.0927
Echinococcus multilocularis	General substrate transporter	0.0278	0.193	0.5735
Toxoplasma gondii	sugar transporter ST2	0.0046	0.0217	0.0327
Onchocerca volvulus		0.0046	0.0217	1
Trypanosoma cruzi	hexose transporter, putative	0.01	0.0621	0.868
Echinococcus granulosus	biogenic amine 5HT receptor	0.0161	0.1067	0.3148
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1067	0.4671
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0072	0.0414	0.1826
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0145	0.0927
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0097	0.0597	0.2583
Chlamydia trachomatis	lysine--tRNA ligase	0.0072	0.0414	1
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0018	0.0016	0.0218
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0145	0.0927
Echinococcus granulosus	geminin	0.017	0.1132	0.3343
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Echinococcus multilocularis	solute carrier family 22	0.0046	0.0217	0.0602
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0046	0.0217	0.0894
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0523	0.3734	0.3724
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0018	0.0016	0.0218
Echinococcus multilocularis	solute carrier family 22	0.0046	0.0217	0.0602
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0611	0.1785
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0621	0.274
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1067	0.4671
Plasmodium vivax	sugar transporter, putative	0.0046	0.0217	0.0201
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0072	0.0414	0.5783
Trichomonas vaginalis	sugar transporter, putative	0.0046	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.01	0.0621	0.274
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0018	0.0016	0.0377
Trichomonas vaginalis	myo-inositol transporter, putative	0.0046	0.0217	0.0956
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0145	0.2435
Trypanosoma brucei	THT1 - hexose transporter, putative	0.01	0.0621	0.868
Trypanosoma cruzi	sugar transporter, putative	0.0046	0.0217	0.303
Toxoplasma gondii	facilitative glucose transporter GT1	0.0324	0.2266	0.3424
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.004	0.0175	0.0709
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0061	0.0333	0.2128

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.86 nM	In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes	ChEMBL.	10354409
Ki (binding)	= 0.86 nM	In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes	ChEMBL.	10354409
Ki (binding)	= 5.02 nM	In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]-spiperone radioligand in rat striatal membranes	ChEMBL.	10354409
Ki (binding)	= 5.02 nM	In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]-spiperone radioligand in rat striatal membranes	ChEMBL.	10354409
Ki (binding)	= 25 nM	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates	ChEMBL.	10354409
Ki (binding)	= 25 nM	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates	ChEMBL.	10354409
Ki (binding)	= 128 nM	In vitro binding affinity towards Alpha-1 adrenergic receptor by the displacement of [3H]-prazosin radioligand in rat cortical homogenates	ChEMBL.	10354409
Ki (binding)	= 128 nM	In vitro binding affinity towards Alpha-1 adrenergic receptor by the displacement of [3H]-prazosin radioligand in rat cortical homogenates	ChEMBL.	10354409
Ratio (binding)	= 6	Ratio of Dopamine D2 receptor (low) and Dopamine D2 receptor (high)	ChEMBL.	10354409
Ratio (binding)	= 6	Ratio of Dopamine D2 receptor (low) and Dopamine D2 receptor (high)	ChEMBL.	10354409

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: CHEMBL291459
PubChem: 10592220

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 100667