TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 228.247 | Formula: C13H12N2O2
H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cccc2c1ccc1c2CNCC1
InChi: 1S/C13H12N2O2/c16-15(17)13-3-1-2-10-11(13)5-4-9-6-7-14-8-12(9)10/h1-5,14H,6-8H2
InChiKey: AQGRGHFKPGGMDL-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phenylethanolamine N-methyltransferase	Starlite/ChEMBL	References
Rattus norvegicus	Adrenergic receptor alpha-2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	alpha 1A adrenergic receptor	Adrenergic receptor alpha-2	450 aa	476 aa	21.0 %
Echinococcus multilocularis	fmrfamide receptor	Adrenergic receptor alpha-2	450 aa	366 aa	19.9 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adrenergic receptor alpha-2	450 aa	433 aa	27.9 %
Echinococcus granulosus	biogenic amine 5HT receptor	Adrenergic receptor alpha-2	450 aa	423 aa	31.7 %
Loa Loa (eye worm)	TYRA-2 protein	Adrenergic receptor alpha-2	450 aa	488 aa	23.8 %
Schistosoma mansoni	amine GPCR	Adrenergic receptor alpha-2	450 aa	439 aa	29.2 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Adrenergic receptor alpha-2	450 aa	473 aa	24.1 %
Onchocerca volvulus		Adrenergic receptor alpha-2	450 aa	467 aa	25.1 %
Echinococcus multilocularis	serotonin receptor	Adrenergic receptor alpha-2	450 aa	426 aa	31.9 %
Brugia malayi	NNMT/PNMT/TEMT family protein	phenylethanolamine N-methyltransferase	282 aa	257 aa	26.5 %
Onchocerca volvulus		Adrenergic receptor alpha-2	450 aa	420 aa	19.8 %
Echinococcus multilocularis	neuropeptides capa receptor	Adrenergic receptor alpha-2	450 aa	486 aa	20.6 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Adrenergic receptor alpha-2	450 aa	378 aa	20.9 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Adrenergic receptor alpha-2	450 aa	478 aa	20.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Loa Loa (eye worm)	heterochromatin protein 1	0.0051	0.0224	0.0029
Schistosoma mansoni	cell polarity protein	0.0066	0.0383	0.1245
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Onchocerca volvulus		0.0268	0.2538	0.2538
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Schistosoma mansoni	notch	0.0066	0.0383	0.1245
Echinococcus multilocularis	neural cadherin	0.0066	0.0383	0.1654
Echinococcus multilocularis	geminin	0.0125	0.1013	0.6187
Echinococcus granulosus	slit 2 protein	0.0066	0.0383	0.1654
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Echinococcus multilocularis	Mastin	0.0051	0.0216	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Trichomonas vaginalis	glutaminase, putative	0.0202	0.1833	0.9244
Echinococcus granulosus	delta-like protein 1	0.0066	0.0383	0.1654
Schistosoma mansoni	aldehyde dehydrogenase	0.0045	0.0154	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.007	0.042	0.192
Echinococcus multilocularis	notch	0.0066	0.0383	0.1654
Schistosoma mansoni	notch	0.0066	0.0383	0.1245
Brugia malayi	Calcium binding EGF domain containing protein	0.0066	0.0383	0.103
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0224	0.1105
Loa Loa (eye worm)	notch protein	0.0066	0.0383	0.0554
Schistosoma mansoni	hypothetical protein	0.0125	0.1013	0.3288
Onchocerca volvulus		0.0051	0.0216	0.0216
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0051	0.0216	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1542	0.4383
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Toxoplasma gondii	EGF family domain-containing protein	0.0066	0.0383	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0066	0.0383	0.1654
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Loa Loa (eye worm)	glutaminase 2	0.0202	0.1833	0.5346
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Echinococcus multilocularis	protein jagged 1	0.0066	0.0383	0.1654
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Onchocerca volvulus		0.0051	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0051	0.0216	0.0701
Schistosoma mansoni	serine/threonine protein kinase	0.007	0.042	0.1365
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0051	0.0216	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Echinococcus granulosus	protein jagged 1	0.0066	0.0383	0.1654
Schistosoma mansoni	chromobox protein	0.0051	0.0224	0.0729
Onchocerca volvulus		0.0066	0.0383	0.0383
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.007	0.042	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0216	0.0701
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Echinococcus granulosus	neurogenic locus notch protein	0.0066	0.0383	0.1654
Echinococcus multilocularis	protein jagged 2	0.0066	0.0383	0.1654
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0154	0.1318	0.3643
Onchocerca volvulus		0.0051	0.0216	0.0216
Brugia malayi	Trypsin family protein	0.0051	0.0216	0.0504
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Schistosoma mansoni	notch	0.0066	0.0383	0.1245
Echinococcus granulosus	neural cadherin	0.0066	0.0383	0.1654
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Brugia malayi	Calcium binding EGF domain containing protein	0.0066	0.0383	0.103
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Echinococcus granulosus	transmembrane protease serine 3	0.0051	0.0216	0.0447
Schistosoma mansoni	kinase	0.0035	0.0053	0.0173
Trypanosoma brucei	polo-like protein kinase	0.007	0.042	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0066	0.0383	0.1654
Onchocerca volvulus		0.0066	0.0383	0.0383
Onchocerca volvulus		0.0051	0.0216	0.0216
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Schistosoma mansoni	septate junction protein	0.0066	0.0383	0.1245
Brugia malayi	glutaminase DH11.1	0.0202	0.1833	0.5581
Echinococcus multilocularis	enteropeptidase	0.0051	0.0216	0.0447
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0224	0.1105
Loa Loa (eye worm)	Notch2	0.0066	0.0383	0.0554
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Onchocerca volvulus		0.0318	0.3079	0.3079
Treponema pallidum	fructose-bisphosphate aldolase	0.0216	0.1983	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0051	0.0216	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Onchocerca volvulus	Serine\/threonine kinase homolog	0.007	0.042	0.042
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Echinococcus multilocularis	fibropellin Ia	0.0066	0.0383	0.1654
Onchocerca volvulus		0.0175	0.1545	0.1545
Echinococcus granulosus	protein jagged 2	0.0066	0.0383	0.1654
Echinococcus multilocularis	protein jagged 1	0.0066	0.0383	0.1654
Trichomonas vaginalis	CAMK family protein kinase	0.0035	0.0043	0.0189
Echinococcus multilocularis	transmembrane protease serine 3	0.0051	0.0216	0.0447
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Onchocerca volvulus	Putative cubilin	0.0066	0.0383	0.0383
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Schistosoma mansoni	hypothetical protein	0.0125	0.1013	0.3288
Echinococcus multilocularis	slit 2 protein	0.0066	0.0383	0.1654
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0051	0.0216	0.0701
Brugia malayi	GCC2 and GCC3 family protein	0.0066	0.0383	0.103
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Brugia malayi	Trypsin family protein	0.0051	0.0216	0.0504
Echinococcus granulosus	protein jagged 1	0.0066	0.0383	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Echinococcus multilocularis	neurogenic locus notch protein	0.0066	0.0383	0.1654
Brugia malayi	Trypsin family protein	0.0051	0.0216	0.0504
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Echinococcus granulosus	protein jagged 2	0.0066	0.0383	0.1654
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0031	0.0006	0.0006
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0216	0.1983	1
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Onchocerca volvulus		0.0066	0.0383	0.0383
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0066	0.0383	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0333	0.3241	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.007	0.042	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Echinococcus granulosus	neurogenic locus protein delta	0.0066	0.0383	0.1654
Giardia lamblia	Fructose-bisphosphate aldolase	0.0216	0.1983	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0105	0.0802	0.3859
Schistosoma mansoni	survival motor neuron protein	0.0036	0.0055	0.0179
Echinococcus granulosus	geminin	0.0125	0.1013	0.6187
Onchocerca volvulus	Neurogenic locus notch homolog	0.0066	0.0383	0.0383
Brugia malayi	Trypsin family protein	0.0318	0.3079	0.9492
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0066	0.0383	0.103
Brugia malayi	Muscle positioning protein 4	0.0066	0.0383	0.103
Echinococcus granulosus	chromobox protein 1	0.0051	0.0224	0.0509
Schistosoma mansoni	hypothetical protein	0.0066	0.0383	0.1245
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Brugia malayi	notch-like transmembrane receptor	0.0066	0.0383	0.103
Trypanosoma cruzi	polo-like protein kinase, putative	0.007	0.042	0.5
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0066	0.0383	0.1654
Brugia malayi	serine/threonine-protein kinase plk-2	0.007	0.042	0.1146
Schistosoma mansoni	aldehyde dehydrogenase	0.0045	0.0154	0.0499
Brugia malayi	Cadherin domain containing protein	0.0066	0.0383	0.103
Onchocerca volvulus		0.0051	0.0216	0.0216
Onchocerca volvulus		0.0066	0.0383	0.0383
Onchocerca volvulus		0.0066	0.0383	0.0383
Schistosoma mansoni	chromobox protein	0.0051	0.0224	0.0729
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Schistosoma mansoni	notch	0.0066	0.0383	0.1245
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Trichomonas vaginalis	set domain proteins, putative	0.0175	0.1545	0.7786
Schistosoma mansoni	laminin gamma-3 chain	0.0066	0.0383	0.1245
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Brugia malayi	Calcium binding EGF domain containing protein	0.0066	0.0383	0.103
Echinococcus granulosus	survival motor neuron protein 1	0.0175	0.1542	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0051	0.0216	0.0504
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0105	0.0802	0.5
Onchocerca volvulus	Slit protein homolog	0.0066	0.0383	0.0383
Echinococcus granulosus	enteropeptidase	0.0051	0.0216	0.0447
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0051	0.0216	0.0447
Echinococcus multilocularis	neurogenic locus notch protein	0.0066	0.0383	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.007	0.042	0.0676
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0318	0.3079	1
Brugia malayi	Pre-SET motif family protein	0.0154	0.1318	0.3963
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0066	0.0383	0.0383
Echinococcus granulosus	Mastin	0.0051	0.0216	0.0447
Brugia malayi	hypothetical protein	0.0175	0.1542	0.4666
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0051	0.0216	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Brugia malayi	Heterochromatin protein 1	0.0051	0.0224	0.0531
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0105	0.0802	1
Loa Loa (eye worm)	hypothetical protein	0.0333	0.3241	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Echinococcus multilocularis	survival motor neuron protein 1	0.0175	0.1542	1
Schistosoma mansoni	glutaminase	0.0202	0.1833	0.5953
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0333	0.3241	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0051	0.0216	0.0447
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Giardia lamblia	Kinase, PLK	0.007	0.042	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0318	0.3079	0.9465
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0333	0.3241	1
Schistosoma mansoni	notch	0.0066	0.0383	0.1245
Echinococcus granulosus	fibropellin Ia	0.0066	0.0383	0.1654
Schistosoma mansoni	hypothetical protein	0.0051	0.0216	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0318	0.3079	0.9465
Brugia malayi	Cadherin domain containing protein	0.0066	0.0383	0.103
Schistosoma mansoni	slit	0.0066	0.0383	0.1245
Brugia malayi	Trypsin-like protease protein 5	0.0051	0.0216	0.0504
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Loa Loa (eye worm)	glutaminase	0.0202	0.1833	0.5346
Echinococcus granulosus	chromobox protein 1	0.0051	0.0224	0.0509
Schistosoma mansoni	hypothetical protein	0.0036	0.0055	0.0179
Trichomonas vaginalis	CAMK family protein kinase	0.007	0.042	0.2095
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0051	0.0216	0.0447
Echinococcus multilocularis	chromobox protein 1	0.0051	0.0224	0.0509
Schistosoma mansoni	cercarial elastase (S01 family)	0.0051	0.0216	0.0701
Echinococcus granulosus	glycoprotein Antigen 5	0.0051	0.0216	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0383	0.0554
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0051	0.0216	0.0701
Onchocerca volvulus		0.0036	0.0055	0.0055
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0051	0.0216	0.0701
Trichomonas vaginalis	CAMK family protein kinase	0.0035	0.0043	0.0189
Brugia malayi	EGF-like domain containing protein	0.0066	0.0383	0.103
Echinococcus multilocularis	chromobox protein 1	0.0051	0.0224	0.0509
Brugia malayi	Delta serrate ligand family protein	0.0066	0.0383	0.103
Echinococcus multilocularis	neurogenic locus protein delta	0.0066	0.0383	0.1654
Echinococcus granulosus	notch	0.0066	0.0383	0.1654
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	0.1983	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0066	0.0383	0.1654
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.007	0.042	0.192
Schistosoma mansoni	notch	0.0066	0.0383	0.1245
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0318	0.3079	1
Mycobacterium ulcerans	glutaminase	0.0202	0.1833	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0066	0.0383	0.1245
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0216	0.0369
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0216	0.1983	1
Brugia malayi	hypothetical protein	0.0051	0.0216	0.0504

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.41 uM	Displacement of [3H]clonidine from adrenergic alpha2 receptor in Sprague-Dawley rat cortex membrane	ChEMBL.	17126018
Ki (binding)	= 0.41 uM	Displacement of [3H]clonidine from adrenergic alpha2 receptor in Sprague-Dawley rat cortex membrane	ChEMBL.	17126018
Ki (binding)	= 0.9 uM	Binding affinity to human PNMT	ChEMBL.	17126018
Ki (binding)	= 0.9 uM	Binding affinity to human PNMT	ChEMBL.	17126018
Ratio Ki (binding)	= 26	Ratio of Ki of drug to 1,2,3,4-tetrahydrobenz[h]isoquinoline for Sprague-Dawley rat adrenergic alpha2 receptor	ChEMBL.	17126018
Ratio Ki (binding)	= 0.46	Selectivity for human PNMT over Sprague-Dawley rat adrenergic alpha2 receptor	ChEMBL.	17126018
Ratio Ki (binding)	= 26	Ratio of Ki of drug to 1,2,3,4-tetrahydrobenz[h]isoquinoline for Sprague-Dawley rat adrenergic alpha2 receptor	ChEMBL.	17126018

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: CHEMBL243834

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 435642