TDR Targets

Basic information

Technical information

TDR Targets ID: 79432
Name: N,N-dimethyl-4-(4-phenethylphenoxy)butan-1-am ine
MW: 297.434 | Formula: C20H27NO
H donors: 0 H acceptors: 0 LogP: 4.86 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCCOc1ccc(cc1)CCc1ccccc1)C
InChi: 1S/C20H27NO/c1-21(2)16-6-7-17-22-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3
InChiKey: JIDGDRFDNCFEEH-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

N,N-dimethyl-4-(4-phenethylphenoxy)-1-butanamine
dimethyl-[4-(4-phenethylphenoxy)butyl]amine
N,N-dimethyl-4-[4-(2-phenylethyl)phenoxy]butan-1-amine
dimethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 2 (5-HT2) receptor	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	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	409 aa	21.8 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 2 (5-HT2) receptor	460 aa	427 aa	28.3 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	409 aa	21.5 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 2 (5-HT2) receptor	460 aa	408 aa	20.8 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 2 (5-HT2) receptor	460 aa	405 aa	31.1 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	412 aa	19.9 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	412 aa	19.7 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 2 (5-HT2) receptor	460 aa	417 aa	21.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0003	0.0003
Giardia lamblia	Fructose-bisphosphate aldolase	0.0308	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Onchocerca volvulus	Protein ultraspiracle homolog	0.0057	0.1079	0.6517
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0057	0.1079	0.1254
Brugia malayi	hypothetical protein	0.0074	0.1656	0.1924
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0057	0.1079	0.1254
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0334	0.066
Echinococcus granulosus	thioredoxin glutathione reductase	0.0056	0.1031	0.2036
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0057	0.1079	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Onchocerca volvulus		0.0027	0.0003	0.0016
Toxoplasma gondii	thioredoxin reductase	0.0056	0.1031	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0027	0.0003	0.0003
Echinococcus multilocularis	thyroid hormone receptor alpha	0.019	0.58	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0308	1	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0094	0.2372	0.4682
Echinococcus multilocularis	FTZ F1 alpha	0.0057	0.1079	0.1861
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.015	0.4395	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0057	0.1079	0.1861
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0118	0.0203
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0057	0.1079	0.1254
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0003	0.0005
Brugia malayi	glutathione reductase	0.0056	0.1031	0.1198
Schistosoma mansoni	nuclear receptor nhr-48	0.0027	0.0003	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Schistosoma mansoni	coup transcription factor	0.0057	0.1079	0.1861
Brugia malayi	conserved hypotetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.003	0.0118	0.0137
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0133	0.3762	0.6486
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0142	0.4087	0.9086
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0057	0.1079	0.1861
Brugia malayi	follicle stimulating hormone receptor	0.0269	0.8611	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0027	0.0003	0.0003
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0027	0.0003	0.0005
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0027	0.0003	0.0005
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0078	0.1819	0.3591
Loa Loa (eye worm)	hypothetical protein	0.003	0.0118	0.0137
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0027	0.0003	0.0005
Mycobacterium tuberculosis	Probable oxidoreductase	0.0142	0.4087	0.9086
Loa Loa (eye worm)	hypothetical protein	0.003	0.0118	0.0137
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0057	0.1079	0.1254
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0057	0.1079	0.1254
Brugia malayi	Nuclear hormone receptor-like 1	0.0057	0.1079	0.1254
Schistosoma mansoni	zinc finger protein	0.0027	0.0003	0.0005
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0057	0.1079	0.1861
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0308	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0027	0.0003	0.0003
Echinococcus multilocularis	nuclear receptor nhr 48	0.0027	0.0003	0.0005
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0057	0.1079	0.6517
Brugia malayi	nuclear receptor RXR	0.003	0.0118	0.0137
Brugia malayi	nuclear hormone receptor	0.0057	0.1079	0.1254
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0334	0.0577
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.015	0.4395	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0027	0.0003	0.0005
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0169	0.5066	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0003	0.0005
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0027	0.0003	0.0005
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0057	0.1079	0.1861
Loa Loa (eye worm)	steroid hormone receptor	0.0057	0.1079	0.1254
Echinococcus granulosus	transcription factor Dp 1	0.0045	0.0649	0.1282
Loa Loa (eye worm)	hypothetical protein	0.003	0.0118	0.0137
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0057	0.1079	0.2131
Schistosoma mansoni	RAR-like nuclear receptor	0.0057	0.1079	0.1861
Echinococcus granulosus	FTZ F1 alpha	0.0057	0.1079	0.2131
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0057	0.1079	0.1861
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0078	0.1819	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Onchocerca volvulus		0.0027	0.0003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Plasmodium falciparum	glutathione reductase	0.0056	0.1031	0.5
Mycobacterium tuberculosis	Probable reductase	0.0128	0.3581	0.758
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0057	0.1079	0.2131
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0057	0.1079	0.1254
Echinococcus granulosus	thyroid hormone receptor alpha	0.0027	0.0003	0.0005
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0027	0.0003	0.0005
Echinococcus granulosus	ecdysone induced protein 78C	0.0057	0.1079	0.2131
Schistosoma mansoni	retinoic acid receptor RXR	0.0169	0.5066	0.8734
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Brugia malayi	nuclear receptor RXR	0.0027	0.0003	0.0003
Echinococcus multilocularis	ecdysone induced protein 78C	0.0057	0.1079	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor E75	0.0027	0.0003	0.0003
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0057	0.1079	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0078	0.1819	1
Schistosoma mansoni	jun-related protein	0.0076	0.1748	0.3013
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0057	0.1079	0.1254
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0269	0.8611	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0128	0.3581	0.758
Brugia malayi	nuclear receptor NHR-67	0.0027	0.0003	0.0003
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0057	0.1079	0.2131
Schistosoma mansoni	hypothetical protein	0.0036	0.0334	0.0577
Brugia malayi	hypothetical protein	0.003	0.0118	0.0137
Loa Loa (eye worm)	nuclear hormone receptor	0.0027	0.0003	0.0003
Schistosoma mansoni	nuclear receptor	0.0027	0.0003	0.0005
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0128	0.3581	0.758
Onchocerca volvulus	Bile acid receptor homolog	0.0057	0.1079	0.6517
Brugia malayi	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.003	0.0118	0.0233
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0027	0.0003	0.0005
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0057	0.1079	0.1254
Plasmodium falciparum	thioredoxin reductase	0.0056	0.1031	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0057	0.1079	0.1254
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0334	0.0577
Brugia malayi	steroid hormone receptor	0.0057	0.1079	0.1254
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0078	0.1819	0.2113
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0057	0.1079	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0057	0.1079	0.1254
Echinococcus granulosus	nuclear receptor nhr 48	0.0027	0.0003	0.0005
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0078	0.1819	0.1536
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0057	0.1079	0.1861
Echinococcus multilocularis	jun protein	0.0094	0.2372	0.4089
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0027	0.0003	0.0003
Brugia malayi	ecdysteroid receptor	0.0057	0.1079	0.1254
Brugia malayi	hypothetical protein	0.0036	0.0334	0.0388
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0027	0.0003	0.0003
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0057	0.1079	0.2131
Onchocerca volvulus		0.0074	0.1656	1
Brugia malayi	tailless protein	0.0027	0.0003	0.0003
Brugia malayi	photoreceptor-specific nuclear receptor	0.0057	0.1079	0.1254
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.015	0.4395	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0057	0.1079	0.1254
Schistosoma mansoni	thyroid hormone receptor	0.019	0.58	1
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0118	0.0137
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0128	0.3581	0.758
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0027	0.0003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Brugia malayi	bZIP transcription factor family protein	0.0094	0.2372	0.2754
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0057	0.1079	0.1861
Plasmodium vivax	glutathione reductase, putative	0.0056	0.1031	0.5
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0078	0.1819	0.3137
Mycobacterium tuberculosis	Probable dehydrogenase	0.0128	0.3581	0.758
Schistosoma mansoni	hypothetical protein	0.0133	0.3762	0.6486
Loa Loa (eye worm)	thioredoxin reductase	0.0056	0.1031	0.1198
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0057	0.1079	0.2131
Brugia malayi	nuclear hormone receptor	0.0027	0.0003	0.0003
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0057	0.1079	0.1861
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0057	0.1079	0.1254
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0139	0.3989	0.6878
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0027	0.0003	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Brugia malayi	ecdysone receptor	0.0027	0.0003	0.0003
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.003	0.0118	0.0137
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Brugia malayi	nuclear hormone receptor family member odr-7	0.0027	0.0003	0.0003
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0057	0.1079	0.2131
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0057	0.1079	0.1254
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0128	0.3581	0.758
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0027	0.0003	0.0016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0057	0.1079	0.1254
Brugia malayi	Thioredoxin reductase	0.0056	0.1031	0.1198
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0142	0.4087	0.9086
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0094	0.2372	0.4089
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0003	0.0005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0057	0.1079	0.1254
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.003	0.0118	0.0203
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0057	0.1079	0.1254
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Brugia malayi	orphan nuclear receptor NR2E1	0.0027	0.0003	0.0003
Plasmodium vivax	thioredoxin reductase, putative	0.0056	0.1031	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0057	0.1079	0.1254
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.003	0.0118	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus granulosus	jun protein	0.0094	0.2372	0.4682
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0057	0.1079	0.1254
Brugia malayi	hypothetical protein	0.0027	0.0003	0.0003
Schistosoma mansoni	nuclear receptor	0.0027	0.0003	0.0005
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0078	0.1819	0.2113
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0078	0.1819	0.3137
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0057	0.1079	0.1861
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0057	0.1079	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1079	0.1254
Loa Loa (eye worm)	hypothetical protein	0.003	0.0118	0.0137
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0133	0.3762	0.7425
Brugia malayi	nuclear receptor NHR-88	0.0057	0.1079	0.1254
Loa Loa (eye worm)	glutathione reductase	0.0056	0.1031	0.1198
Loa Loa (eye worm)	hypothetical protein	0.0091	0.228	0.2648
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0078	0.1819	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0056	0.1031	0.1778
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0057	0.1079	0.1254
Echinococcus multilocularis	transcription factor Dp 1	0.0045	0.0649	0.1119
Onchocerca volvulus		0.0057	0.1079	0.6517
Schistosoma mansoni	hypothetical protein	0.0076	0.1748	0.3013
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0003	0.0005
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0057	0.1079	0.1861
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0057	0.1079	0.1254
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0142	0.4087	0.6224
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	DR-78	0.0027	0.0003	0.0003
Brugia malayi	hypothetical protein	0.003	0.0118	0.0137
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0078	0.1819	1
Brugia malayi	Steroid receptor seven-up type 2	0.0057	0.1079	0.1254
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0118	0.0137
Schistosoma mansoni	thyroid hormone receptor	0.019	0.58	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1976 nM	Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.	ChEMBL.	2342076
IC50 (functional)	= 1976 nM	Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.	ChEMBL.	2342076
IC50 (functional)	= 3.4 uM	In vitro inhibition of collagen induced platelet aggregation of rabbit platelet rich plasma	ChEMBL.	2342076
Ki (binding)	= 416 nM	Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.	ChEMBL.	2342076
Ki (binding)	= 416 nM	Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.	ChEMBL.	2342076

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: CHEMBL52710
PubChem: 11358431

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 79432