TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 419.516 | Formula: C25H29N3O3
H donors: 0 H acceptors: 0 LogP: 3.59 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(CC1)C/C=C/c1ccccc1
InChi: 1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
InChiKey: WDCPMDKQCCZVEW-VMPITWQZSA-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	adrenoceptor alpha 2B	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2C	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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)	serotonin transporter b	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
Brugia malayi	Sodium:neurotransmitter symporter family protein	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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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	IPR000175,Sodium:neurotransmitter symporter,domain-containing	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
Echinococcus granulosus	serotonin transporter	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
Loa Loa (eye worm)	hypothetical 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
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
Schistosoma japonicum	Sodium-dependent dopamine transporter, 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
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
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	serotonin transporter	0.0073	0.1631	0.3177
Loa Loa (eye worm)	neuropeptide F receptor	0.0018	0.0101	0.0101
Brugia malayi	G protein-coupled receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0026	0.0324	0.0464
Loa Loa (eye worm)	norepinephrine transporter	0.0073	0.1631	0.1631
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0028	0.0369	0.0284
Schistosoma mansoni	NAD dehydrogenase	0.0028	0.0369	0.0304
Treponema pallidum	sodium- and chloride- dependent transporter	0.0073	0.1631	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0354	0.0525
Brugia malayi	AKH receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	Serotonin receptor	0.0018	0.0101	0.0101
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0028	0.0369	0.0304
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0018	0.0101	0.0101
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0028	0.0369	1
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	musashi	0.0027	0.0354	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0369	0.0369
Loa Loa (eye worm)	G-protein coupled receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0028	0.0369	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0334	0.8914	0.8914
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Schistosoma mansoni	lamin	0.0027	0.0354	0.0287
Loa Loa (eye worm)	neuropeptide F receptor	0.0018	0.0101	0.0101
Onchocerca volvulus	Putative fad oxidoreductase	0.0028	0.0369	0.175
Brugia malayi	RE18450p	0.0028	0.0369	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0028	0.0369	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	neuropeptide F receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Toxoplasma gondii	hypothetical protein	0.0028	0.0369	0.5
Brugia malayi	Melatonin receptor type 1A	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0306	0.8137	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Onchocerca volvulus		0.0027	0.0354	0.1653
Loa Loa (eye worm)	TYRA-2 protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	geminin	0.0171	0.4381	0.8888
Schistosoma mansoni	hypothetical protein	0.0171	0.4381	0.4857
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0028	0.0369	0.175
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Schistosoma mansoni	fad oxidoreductase	0.0028	0.0369	0.0304
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0354	0.0354
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0334	0.8914	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	ORL1-like opioid receptor	0.0018	0.0101	0.0101
Brugia malayi	follicle stimulating hormone receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	putative neuropeptide receptor	0.0018	0.0101	0.0101
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0028	0.0369	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0373	1	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0073	0.1631	0.1631
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	Abnormal catecholamine distribution protein 1	0.0191	0.4917	0.4917
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1631	0.1631
Leishmania major	C-8 sterol isomerase-like protein	0.0373	1	1
Brugia malayi	Serotonin receptor	0.0018	0.0101	0.0101
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0018	0.0101	0.0101
Brugia malayi	GnHR receptor homolog	0.0018	0.0101	0.0101
Brugia malayi	Dopamine receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0369	0.0284
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0018	0.0101	0.0101
Schistosoma mansoni	d-amino acid oxidase	0.0334	0.8914	1
Schistosoma mansoni	vesicular amine transporter	0.0191	0.4917	0.5465
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0028	0.0369	0.0304
Loa Loa (eye worm)	hypothetical protein	0.019	0.4911	0.4911
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0028	0.0369	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0028	0.0369	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0028	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	RE15519p	0.0018	0.0101	0.0101
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0028	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1631	0.1631
Brugia malayi	putative neuropeptide receptor NPR1	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0369	0.0369
Brugia malayi	G-protein coupled receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0028	0.0369	0.0556
Brugia malayi	Dopamine receptor protein 1	0.0018	0.0101	0.0101
Brugia malayi	G protein-coupled receptor F59B2.13	0.0018	0.0101	0.0101
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0028	0.0369	0.0369
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0018	0.0101	0.0101
Loa Loa (eye worm)	serotonin transporter b	0.0073	0.1631	0.1631
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0018	0.0101	0.0101
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0028	0.0369	0.175
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0373	1	1
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	0.0191	0.4917	0.4917
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0018	0.0101	0.0101
Echinococcus granulosus	lamin dm0	0.0027	0.0354	0.0525
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0369	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Schistosoma mansoni	lamin	0.0027	0.0354	0.0287
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0354	0.0354
Brugia malayi	Dopamine receptor protein 2	0.0018	0.0101	0.0101
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0028	0.0369	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	nmda type glutamate receptor	0.0026	0.0324	0.0464
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0334	0.8914	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	G-protein coupled receptor	0.0018	0.0101	0.0101
Schistosoma mansoni	hypothetical protein	0.0171	0.4381	0.4857
Echinococcus multilocularis	synaptic vesicular amine transporter	0.0191	0.4917	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus granulosus	geminin	0.0171	0.4381	0.8888
Brugia malayi	sulfakinin receptor protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0028	0.0369	0.0556
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	intermediate filament protein	0.0027	0.0354	0.0354
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0369	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	G-protein coupled receptor	0.0018	0.0101	0.0101
Schistosoma mansoni	sodium/chloride dependent transporter	0.0073	0.1631	0.1736
Echinococcus granulosus	synaptic vesicular amine transporter	0.0191	0.4917	1
Echinococcus granulosus	lamin	0.0027	0.0354	0.0525
Echinococcus multilocularis	lamin	0.0027	0.0354	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus multilocularis	serotonin transporter	0.0073	0.1631	0.3177
Echinococcus granulosus	intermediate filament protein	0.0027	0.0354	0.0525
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0073	0.1631	0.1631
Onchocerca volvulus		0.0073	0.1631	1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0373	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1631	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0028	0.0369	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0073	0.1631	0.1736
Onchocerca volvulus		0.0027	0.0354	0.1653
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	neuropeptide F receptor	0.0018	0.0101	0.0101
Brugia malayi	cDNA sequence BC016226	0.0028	0.0369	0.0369
Loa Loa (eye worm)	melatonin receptor type 1A	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Brugia malayi	larval opioid receptor	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0101
Echinococcus granulosus	nmda type glutamate receptor	0.0026	0.0324	0.0464
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0354	0.0287
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0369	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0018	0.0101	0.0101
Schistosoma mansoni	fad oxidoreductase	0.0028	0.0369	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0027	0.034	0.034
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0028	0.0369	0.0284

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 1.4 mg kg-1	In vivo effective dose required to inhibit p-chloroamphetamine induced excitation in rats upon subcutaneous administration	ChEMBL.	12873501
ED50 (functional)	= 1.4 mg kg-1	In vivo effective dose required to inhibit p-chloroamphetamine induced excitation in rats upon subcutaneous administration	ChEMBL.	12873501
ED50 (functional)	= 2 mg kg-1	In vivo effective dose required to inhibit xylazine-induced loss of righting in rats upon subcutaneous administration	ChEMBL.	12873501
ED50 (functional)	= 2 mg kg-1	In vivo effective dose required to inhibit xylazine-induced loss of righting in rats upon subcutaneous administration	ChEMBL.	12873501
Ki (binding)	= 0.5 nM	In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 0.5 nM	In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 1.9 nM	In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 1.9 nM	In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 16 nM	In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 16 nM	In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 19 nM	In vitro binding affinity towards rat serotonin transporter	ChEMBL.	12873501
Ki (binding)	= 19 nM	In vitro binding affinity towards rat serotonin transporter	ChEMBL.	12873501

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: CHEMBL90247

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 151095