TDR Targets

Basic information

Technical information

TDR Targets ID: 77545
Name: 9-[(3-methoxyphenyl)methylamino]-1,2,3,4-tetr ahydroacridin-1-ol
MW: 334.412 | Formula: C21H22N2O2
H donors: 2 H acceptors: 2 LogP: 3.57 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)CNc1c2C(O)CCCc2nc2c1cccc2
InChi: 1S/C21H22N2O2/c1-25-15-7-4-6-14(12-15)13-22-21-16-8-2-3-9-17(16)23-18-10-5-11-19(24)20(18)21/h2-4,6-9,12,19,24H,5,10-11,13H2,1H3,(H,22,23)
InChiKey: DKUJACOBAKIJQF-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

9-(m-anisylamino)-1,2,3,4-tetrahydroacridin-1-ol
9-[(3-methoxybenzyl)amino]-1,2,3,4-tetrahydroacridin-1-ol
104628-27-5
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methoxyphenyl)methyl)amino)-
9-(((3-Methoxyphenyl)methyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Rattus norvegicus	Norepinephrine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Echinococcus multilocularis	serotonin 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)	hypothetical protein	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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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
Brugia malayi	Sodium:neurotransmitter symporter family protein	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 mansoni	norepinephrine/norepinephrine 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
Onchocerca volvulus		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	sodium/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
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
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
Treponema pallidum	sodium- and chloride- dependent transporter	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
Onchocerca volvulus		Norepinephrine transporter	597 aa	548 aa	24.8 %
Plasmodium vivax	amine transporter, putative	Norepinephrine transporter	597 aa	483 aa	21.1 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Norepinephrine transporter	597 aa	513 aa	38.4 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	554 aa	38.6 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Norepinephrine transporter	597 aa	577 aa	34.0 %
Neospora caninum	sodium-dependent transporter, putative	Norepinephrine transporter	597 aa	507 aa	30.4 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Norepinephrine transporter	597 aa	501 aa	39.7 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	540 aa	46.3 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	570 aa	38.6 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	579 aa	35.1 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	534 aa	41.0 %
Loa Loa (eye worm)	hypothetical protein	Norepinephrine transporter	597 aa	551 aa	25.0 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	Norepinephrine transporter	597 aa	579 aa	22.1 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	522 aa	22.0 %
Plasmodium yoelii	hypothetical protein	Norepinephrine transporter	597 aa	478 aa	19.7 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Norepinephrine transporter	597 aa	549 aa	41.9 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Norepinephrine transporter	597 aa	569 aa	24.8 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	581 aa	34.6 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.0 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Norepinephrine transporter	597 aa	545 aa	41.7 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	595 aa	34.0 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.5 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	508 aa	32.7 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Norepinephrine transporter	597 aa	551 aa	47.4 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	529 aa	41.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0124	0.0119
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.1199	0.1199
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0266	0.907	0.9069
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0124	0.0124
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0124	0.0124
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.1199	0.1199
Loa Loa (eye worm)	serotonin transporter b	0.0292	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0124	0.0124
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0124	0.0124
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.182	0.182
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.1199	0.1199
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0124	0.0124
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.1199	0.1199
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.182	0.182
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0124	0.0124
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.1199	0.1199
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0124	0.0124
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.1199	0.1199
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0124	0.0124
Echinococcus granulosus	geminin	0.0195	0.6475	0.6475
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.1199	0.1199
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.1199	0.1199
Echinococcus multilocularis	serotonin transporter	0.0292	1	1
Schistosoma mansoni	hypothetical protein	0.0195	0.6475	0.6475
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.1199	0.1199
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.1199	0.1199
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0124	0.0124
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0124	0.0124
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.182	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0124	0.0124
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.1199	0.1199
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.1199	0.1199
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Loa Loa (eye worm)	norepinephrine transporter	0.0292	1	1
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0124	0.0124
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0085	0.2474	0.2474
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.182	0.182
Plasmodium vivax	amine transporter, putative	0.005	0.1199	0.5
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0124	0.0124
Schistosoma mansoni	thyroid hormone receptor	0.0165	0.538	0.538
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0124	0.0124
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0124	0.0124
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0124	0.0119
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0124	0.0124
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.1199	0.1199
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0124	0.0119
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0145	0.4656	0.4656
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0124	0.0124
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0124	0.0124
Plasmodium falciparum	amino acid transporter, putative	0.005	0.1199	0.5
Brugia malayi	nuclear receptor NHR-88	0.002	0.0124	0.0124
Echinococcus granulosus	serotonin transporter	0.0292	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0124	0.0119
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0124	0.0124
Brugia malayi	nuclear hormone receptor	0.002	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0124	0.0124
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0124	0.0124
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.1199	0.1199
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0124	0.0124
Schistosoma mansoni	thyroid hormone receptor	0.0165	0.538	0.538
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.1199	0.1199
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Schistosoma mansoni	hypothetical protein	0.0195	0.6475	0.6475
Onchocerca volvulus		0.0292	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0124	0.0119
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Brugia malayi	hypothetical protein	0.005	0.1199	0.1199
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0145	0.4656	0.4656
Brugia malayi	steroid hormone receptor	0.002	0.0124	0.0124
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.1199	0.1199
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0124	0.0119
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.1199	0.1195
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.1199	0.1199
Onchocerca volvulus		0.005	0.1199	0.1089
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0124	0.0124
Onchocerca volvulus		0.005	0.1199	0.1089
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0124	0.0124
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0124	0.0124
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.182	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Brugia malayi	follicle stimulating hormone receptor	0.0266	0.907	0.907
Echinococcus multilocularis	Ankyrin	0.0017	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0124	0.0124
Schistosoma mansoni	coup transcription factor	0.002	0.0124	0.0124
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.1199	0.1199
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0124	0.0124
Schistosoma mansoni	hypothetical protein	0.0145	0.4656	0.4656
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.182	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.1199	0.1199
Onchocerca volvulus		0.005	0.1199	0.1089
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.1199	0.1195
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Plasmodium falciparum	transporter, putative	0.005	0.1199	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.182	0.182
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0124	0.0119
Brugia malayi	ecdysteroid receptor	0.002	0.0124	0.0124
Plasmodium vivax	hypothetical protein, conserved	0.005	0.1199	0.5
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.1199	0.1199
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0017	0.0005	0.0005
Echinococcus granulosus	Ankyrin	0.0017	0.0005	0.0005
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.182	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0124	0.0124
Echinococcus multilocularis	geminin	0.0195	0.6475	0.6475
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0124	0.0124
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0165	0.538	0.538
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.1199	0.1199
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.1199	0.1199
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0124	0.0119
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0124	0.0124
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0085	0.2474	0.2474
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0124	0.0124
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.1199	0.1199
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.182	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.1199	0.1199
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0124	0.0124
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.182	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Loa Loa (eye worm)	hypothetical protein	0.005	0.1199	0.1195
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0124	0.0124
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0124	0.0124
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.1199	0.1199
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.1199	0.1199
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0124	0.0124
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0124	0.0124
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.1199	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0124	0.0124
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0124	0.0124
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0124	0.0124
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.002	0.0124	0.0119

Activities

Activity type	Activity value	Assay description	Source	Reference
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
IC50 (functional)	= 1.5 uM	Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar	ChEMBL.	2754707
IC50 (functional)	= 1.5 uM	Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar	ChEMBL.	2754707
IC50 (functional)	= 2.1 uM	Inhibition of the reuptake of dopamine in rat corpora striata.	ChEMBL.	2754707
IC50 (functional)	= 2.1 uM	Inhibition of the reuptake of dopamine in rat corpora striata.	ChEMBL.	2754707
IC50 (functional)	= 6.2 uM	Inhibition of serotonin reuptake in rat whole brains without cerebellum	ChEMBL.	2754707
IC50 (functional)	= 6.2 uM	Inhibition of serotonin reuptake in rat whole brains without cerebellum	ChEMBL.	2754707
IC50 (binding)	= 21.1 uM	In vitro inhibition against acetylcholinesterase in rat striata.	ChEMBL.	2754707
IC50 (binding)	= 21.1 uM	In vitro inhibition against acetylcholinesterase in rat striata.	ChEMBL.	2754707
LD50 (ADMET)	> 80 mg kg-1	Toxicity evaluated in rats after intraperitoneal administration.	ChEMBL.	2754707

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: CHEMBL53715
PubChem: 3025617

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 77545