TDR Targets

Basic information

Technical information

TDR Targets ID: 263797
Name: 5-nitro-N-pyridin-4-ylindol-1-amine
MW: 254.244 | Formula: C13H10N4O2
H donors: 1 H acceptors: 3 LogP: 2.73 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1ccc2c(c1)ccn2Nc1ccncc1
InChi: 1S/C13H10N4O2/c18-17(19)12-1-2-13-10(9-12)5-8-16(13)15-11-3-6-14-7-4-11/h1-9H,(H,14,15)
InChiKey: LKXCLZURUSBJKI-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

5-nitro-N-(4-pyridyl)indol-1-amine
5-nitro-N-(4-pyridyl)-1-indolamine
5-nitro-N-pyridin-4-yl-indol-1-amine
(5-nitroindol-1-yl)-(4-pyridyl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Rattus norvegicus	Muscarinic acetylcholine receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	TYRA-2 protein	Muscarinic acetylcholine receptor	466 aa	497 aa	24.7 %
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	Muscarinic acetylcholine receptor	466 aa	461 aa	26.0 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Muscarinic acetylcholine receptor	466 aa	493 aa	34.7 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Muscarinic acetylcholine receptor	466 aa	505 aa	26.9 %
Echinococcus granulosus	g protein coupled receptor	Muscarinic acetylcholine receptor	466 aa	480 aa	18.5 %
Schistosoma japonicum	Octopamine receptor, putative	Muscarinic acetylcholine receptor	466 aa	462 aa	26.8 %
Schistosoma mansoni	growth hormone secretagogue receptor	Muscarinic acetylcholine receptor	466 aa	462 aa	19.9 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %
Schistosoma japonicum	Octopamine receptor 1, putative	Muscarinic acetylcholine receptor	466 aa	412 aa	22.6 %
Schistosoma mansoni	biogenic amine receptor	Muscarinic acetylcholine receptor	466 aa	484 aa	24.4 %
Schistosoma mansoni	biogenic amine receptor	Muscarinic acetylcholine receptor	466 aa	463 aa	24.2 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Muscarinic acetylcholine receptor	466 aa	459 aa	20.0 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Muscarinic acetylcholine receptor	466 aa	459 aa	21.1 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Muscarinic acetylcholine receptor	466 aa	510 aa	29.8 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Muscarinic acetylcholine receptor	466 aa	461 aa	23.9 %
Onchocerca volvulus		Muscarinic acetylcholine receptor	466 aa	472 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0064	0.0739	0.3173
Trypanosoma brucei	phosphoglycerate kinase	0.0064	0.0739	0.3173
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0936	0.0936
Plasmodium falciparum	phd finger protein, putative	0.003	0.0247	0.1061
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0174	0.2328	1
Schistosoma mansoni	phosphoglycerate kinase	0.0174	0.2328	0.2328
Toxoplasma gondii	hypothetical protein	0.0019	0.0086	0.0369
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0191	0.2577	0.624
Schistosoma mansoni	microtubule-associated protein tau	0.0704	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0059	0.0668	0.2868
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0174	0.2328	0.5
Giardia lamblia	PHD finger protein 15	0.003	0.0247	0.0598
Entamoeba histolytica	ubiquitin like protein	0.0031	0.027	0.0653
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0064	0.0739	0.3173
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0064	0.0739	0.3173
Chlamydia trachomatis	phosphoglycerate kinase	0.0174	0.2328	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0338	0.0338
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0247	0.1061
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0059	0.0668	0.2868
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0174	0.2328	1
Leishmania major	hypothetical protein, conserved	0.0059	0.0668	0.2868
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0059	0.0668	0.1617
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0174	0.2328	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0247	0.1061
Loa Loa (eye worm)	norepinephrine transporter	0.0109	0.1402	0.5439
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0146	0.1924	0.328
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0191	0.2577	0.624
Loa Loa (eye worm)	SMO-1 protein	0.0031	0.027	0.1046
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0247	0.0959
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0174	0.2328	1
Trypanosoma cruzi	small ubiquitin protein, putative	0.0031	0.027	0.1158
Brugia malayi	hypothetical protein	0.0019	0.0086	0.0333
Onchocerca volvulus		0.0191	0.2577	1
Plasmodium vivax	small ubiquitin-related modifier, putative	0.0031	0.027	0.1158
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0369
Echinococcus multilocularis	peregrin	0.003	0.0247	0.0247
Schistosoma mansoni	hypothetical protein	0.003	0.0247	0.0247
Plasmodium falciparum	transporter, putative	0.0019	0.0086	0.0369
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0333
Echinococcus granulosus	Small ubiquitin modifier 2	0.0031	0.027	0.027
Schistosoma mansoni	sodium/chloride dependent transporter	0.0109	0.1402	0.1402
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0019	0.0086	0.0086
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0059	0.0668	0.1617
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0333
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0174	0.2328	0.2328
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0338	0.131
Brugia malayi	jmjC domain containing protein	0.0036	0.0338	0.131
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0247	0.1061
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0705	0.2736
Schistosoma mansoni	phosphoglycerate kinase	0.0174	0.2328	0.2328
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0174	0.2328	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0298	0.413	1
Loa Loa (eye worm)	serotonin transporter b	0.0109	0.1402	0.5439
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Treponema pallidum	fructose-bisphosphate aldolase	0.0298	0.413	1
Plasmodium vivax	phosphoglycerate kinase, putative	0.0174	0.2328	1
Brugia malayi	Bromodomain containing protein	0.003	0.0247	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0247	0.0247
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0338	0.0338
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0416	0.0416
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Brugia malayi	Phosphoglycerate kinase	0.0174	0.2328	0.9035
Plasmodium falciparum	amino acid transporter, putative	0.0019	0.0086	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1402	0.5439
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.413	1
Mycobacterium ulcerans	phosphoglycerate kinase	0.0174	0.2328	0.6193
Plasmodium falciparum	small ubiquitin-related modifier	0.0031	0.027	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1402	0.5439
Onchocerca volvulus		0.0109	0.1402	0.5281
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.027	0.0653
Echinococcus multilocularis	Small ubiquitin modifier 2	0.0031	0.027	0.027
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0019	0.0086	0.0086
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0247	0.0247
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0019	0.0086	0.0086
Schistosoma mansoni	sodium/chloride dependent transporter	0.0019	0.0086	0.0086
Echinococcus granulosus	sodium and chloride dependent glycine	0.0019	0.0086	0.0086
Echinococcus multilocularis	serotonin transporter	0.0109	0.1402	0.1402
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0174	0.2328	1
Echinococcus multilocularis	microtubule associated protein 2	0.0704	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Trypanosoma brucei	phosphoglycerate kinase	0.0174	0.2328	1
Plasmodium vivax	hypothetical protein, conserved	0.0019	0.0086	0.0369
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0019	0.0086	0.0333
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.413	1
Echinococcus granulosus	peregrin	0.003	0.0247	0.0247
Brugia malayi	Phosphoglycerate kinase	0.0064	0.0739	0.2867
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0369
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Trypanosoma brucei	phosphoglycerate kinase	0.0174	0.2328	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Brugia malayi	PHD-finger family protein	0.003	0.0247	0.0959
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0174	0.2328	0.5638
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0191	0.2577	1
Plasmodium vivax	amine transporter, putative	0.0019	0.0086	0.0369
Trypanosoma cruzi	small ubiquitin protein, putative	0.0031	0.027	0.1158
Loa Loa (eye worm)	hypothetical protein	0.003	0.0247	0.0959
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0109	0.1402	0.5439
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0019	0.0086	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1402	0.5439
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0191	0.2577	0.624
Trypanosoma brucei	small ubiquitin-related modifier	0.0031	0.027	0.1158
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0191	0.2577	0.624
Giardia lamblia	Sentrin	0.0031	0.027	0.0653
Brugia malayi	Ubiquitin-like protein SMT3	0.0031	0.027	0.1046
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.1226	0.1226
Leishmania major	small ubiquitin protein, putative	0.0031	0.027	0.1158
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0191	0.2577	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0019	0.0086	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0554	0.2152
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0174	0.2328	0.5638
Echinococcus granulosus	sodium and chloride dependent glycine	0.0019	0.0086	0.0086
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Loa Loa (eye worm)	hypothetical protein	0.0174	0.2328	0.9035
Echinococcus granulosus	phosphoglycerate kinase 1	0.0174	0.2328	0.2328
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0369
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0064	0.0739	0.3173
Onchocerca volvulus	Alhambra homolog	0.003	0.0247	0.0647
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0191	0.2577	0.624
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0019	0.0086	0.0086
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0333
Giardia lamblia	Phosphoglycerate kinase	0.0174	0.2328	0.5638
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.1226	0.1226
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0191	0.2577	0.624
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0064	0.0739	0.3173
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0064	0.0739	0.3173
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0191	0.2577	0.624
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0019	0.0086	0.0086
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0338	0.0338
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0109	0.1402	0.5439
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0019	0.0086	0.0086
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0191	0.2577	0.624
Schistosoma mansoni	sodium/chloride dependent transporter	0.0019	0.0086	0.0086
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0109	0.1402	0.1402
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0174	0.2328	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0019	0.0086	0.0333
Toxoplasma gondii	small ubiquitin family modifier, putative	0.0031	0.027	0.1158
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0174	0.2328	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0059	0.0668	0.2868
Echinococcus granulosus	serotonin transporter	0.0109	0.1402	0.1402
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0191	0.2577	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.413	1
Plasmodium falciparum	phosphoglycerate kinase	0.0174	0.2328	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0338	0.0338
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0019	0.0086	0.0086
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0064	0.0739	0.3173
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0019	0.0086	0.0086
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0247	0.0247
Brugia malayi	jmjC domain containing protein	0.0097	0.1226	0.4757
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0019	0.0086	0.0086
Treponema pallidum	phosphoglycerate kinase	0.0174	0.2328	0.3397
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0416	0.0416
Toxoplasma gondii	hypothetical protein	0.0019	0.0086	0.0369
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0174	0.2328	0.5638
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.0031	0.027	0.027
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0191	0.2577	0.624
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0086	0.0333
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0019	0.0086	0.0086

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 20 mg kg-1	Effective dose against administration in mice	ChEMBL.	8558529
ED50 (functional)	> 20 mg kg-1	Effective dose against administration in mice	ChEMBL.	8558529
IC50 (functional)	= 9.9 uM	Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation	ChEMBL.	8558529
IC50 (functional)	= 9.9 uM	Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation	ChEMBL.	8558529
IC50 (binding)	= 12 uM	Inhibition of [3H]-quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn	ChEMBL.	8558529
IC50 (binding)	= 12 uM	Inhibition of [3H]-quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn	ChEMBL.	8558529
IC50 (binding)	> 100 uM	Inhibitory activity against acetylcholinesterase in rat striatal preparation	ChEMBL.	8558529
IC50 (binding)	> 100 uM	Inhibitory activity against acetylcholinesterase in rat striatal preparation	ChEMBL.	8558529
IC50 (binding)	= 146 uM	Inhibition of [3H]-quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn	ChEMBL.	8558529
IC50 (binding)	= 146 uM	Inhibition of [3H]-quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn	ChEMBL.	8558529
Ratio (binding)	= 12	Ratio of inhibitory activity against [3H]-quinuclidinyl benzilate (QNB) binding in the abesence of Zn to in the presence of Zn	ChEMBL.	8558529

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: CHEMBL356922
PubChem: 10729598

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 263797