TDR Targets

Basic information

Technical information

TDR Targets ID: 34648
Name: 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin- 1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-c arboxamide
MW: 423.548 | Formula: C25H33N3O3
H donors: 1 H acceptors: 1 LogP: 3.68 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1N1CCN(CC1)CCNC(=O)C1CCCc2c1cccc2OC
InChi: 1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
InChiKey: CPGVFFIAFKTJQY-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

5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]tetralin-1-carboxamide
5-methoxy-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1-tetralincarboxamide
5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazino]ethyl]tetralin-1-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 2 (5-HT2) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adrenergic receptor alpha-2	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adrenergic receptor alpha-1	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Onchocerca volvulus		Adrenergic receptor alpha-2	450 aa	467 aa	25.1 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Adrenergic receptor alpha-2	450 aa	478 aa	20.7 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Echinococcus multilocularis	fmrfamide receptor	Adrenergic receptor alpha-2	450 aa	366 aa	19.9 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Adrenergic receptor alpha-2	450 aa	473 aa	24.1 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adrenergic receptor alpha-2	450 aa	433 aa	27.9 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Cathepsin F homolog	0.0234	0.3066	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0475	1	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1326	0.0388
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Onchocerca volvulus		0.0234	0.3066	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0234	0.3066	0.3066
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0475	1	1
Echinococcus granulosus	cathepsin l1	0.0234	0.3066	0.3066
Loa Loa (eye worm)	hypothetical protein	0.0475	1	1
Echinococcus granulosus	cathepsin b	0.0475	1	1
Onchocerca volvulus		0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Toxoplasma gondii	cathepsin CPL	0.0234	0.3066	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0234	0.3066	0.3066
Giardia lamblia	Cathepsin B precursor	0.0184	0.1649	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0234	0.3066	0.2316
Echinococcus multilocularis	cathepsin L cysteine protease	0.0234	0.3066	0.3066
Loa Loa (eye worm)	cathepsin B	0.0184	0.1649	0.0746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0234	0.3066	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0385	0.7404	0.7404
Onchocerca volvulus	Cathepsin L homolog	0.0234	0.3066	1
Brugia malayi	Papain family cysteine protease containing protein	0.0234	0.3066	0.3066
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0234	0.3066	0.3066
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0475	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0312	0.5314	0.5314
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0234	0.3066	0.3066
Leishmania major	cathepsin L-like protease	0.0234	0.3066	0.2462
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Plasmodium vivax	vivapain-2	0.0234	0.3066	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Echinococcus multilocularis	serotonin receptor	0.0173	0.1326	0.1326
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Giardia lamblia	Cathepsin B precursor	0.0184	0.1649	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0234	0.3066	1
Brugia malayi	Cathepsin L-like precursor	0.0234	0.3066	0.3066
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1326	0.0388
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0184	0.1649	0.5379
Loa Loa (eye worm)	fibroinase	0.0234	0.3066	0.2316
Echinococcus multilocularis	cysteine protease	0.0234	0.3066	0.3066
Brugia malayi	cathepsin L-like precursor	0.0161	0.0975	0.0975
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0385	0.7404	0.7404
Brugia malayi	Cathepsin L-like precursor	0.0161	0.0975	0.0975
Leishmania major	cathepsin L-like protease	0.0385	0.7404	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0173	0.1326	0.1326
Leishmania major	cathepsin L-like protease	0.0234	0.3066	0.2462
Leishmania major	cathepsin L-like protease	0.0385	0.7404	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.1649	0.1649
Onchocerca volvulus		0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0234	0.3066	0.3066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Brugia malayi	Cathepsin L-like precursor	0.0234	0.3066	0.3066
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0234	0.3066	1
Loa Loa (eye worm)	cysteine protease	0.0234	0.3066	0.2316
Entamoeba histolytica	cysteine protease, putative	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0475	1	1
Brugia malayi	Cathepsin L-like precursor	0.0234	0.3066	0.3066
Echinococcus granulosus	cathepsin b	0.0475	1	1
Brugia malayi	Cathepsin L-like precursor	0.0234	0.3066	0.3066
Echinococcus multilocularis	cathepsin b	0.0475	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0385	0.7404	0.7404
Entamoeba histolytica	cysteine proteinase, putative	0.0161	0.0975	0.3182
Echinococcus granulosus	biogenic amine 5HT receptor	0.0173	0.1326	0.1326
Entamoeba histolytica	cysteine proteinase, putative	0.0234	0.3066	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0205	0.2248	0.2248
Echinococcus multilocularis	cathepsin b	0.0475	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0475	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0234	0.3066	1
Brugia malayi	Cathepsin L-like precursor	0.0161	0.0975	0.0975
Leishmania major	cathepsin L-like protease	0.0385	0.7404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Leishmania major	cathepsin L-like protease	0.0234	0.3066	0.2462
Schistosoma mansoni	cathepsin F (C01 family)	0.0161	0.0975	0.0975
Echinococcus multilocularis	cysteine protease	0.0234	0.3066	0.3066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Onchocerca volvulus		0.0234	0.3066	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0184	0.1649	0.2227
Plasmodium vivax	vivapain-2	0.0234	0.3066	1
Leishmania major	cathepsin L-like protease	0.0234	0.3066	0.2462
Brugia malayi	Cathepsin L-like precursor	0.0234	0.3066	0.3066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Echinococcus granulosus	cathepsin l1	0.0161	0.0975	0.0975
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0161	0.0975	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0161	0.0975	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0234	0.3066	0.2316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Onchocerca volvulus		0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Leishmania major	cathepsin L-like protease	0.0234	0.3066	0.2462
Schistosoma mansoni	cathepsin F (C01 family)	0.0234	0.3066	0.3066
Brugia malayi	Cathepsin L-like precursor	0.0234	0.3066	0.3066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0234	0.3066	0.3066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Entamoeba histolytica	cysteine proteinase, putative	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0234	0.3066	0.3066
Onchocerca volvulus		0.0234	0.3066	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0385	0.7404	0.7404
Echinococcus multilocularis	serotonin receptor	0.0173	0.1326	0.1326
Onchocerca volvulus	Cathepsin L homolog	0.0234	0.3066	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.3066	1
Giardia lamblia	Cathepsin B precursor	0.0184	0.1649	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0161	0.0975	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Leishmania major	cysteine peptidase A (CPA)	0.0234	0.3066	0.2462
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0385	0.7404	1
Onchocerca volvulus		0.0234	0.3066	1
Loa Loa (eye worm)	ctsf protein	0.0234	0.3066	0.2316
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	0.3066	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0234	0.3066	0.2316
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0184	0.1649	0.1649

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 35 nM	Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand	ChEMBL.	8759642
IC50 (binding)	= 35 nM	Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand	ChEMBL.	8759642
IC50 (binding)	= 166 nM	Binding affinity against Alpha-1 adrenergic receptor in rat brain membrane using [3H]-Prazosin as radioligand	ChEMBL.	8759642
IC50 (binding)	= 166 nM	Binding affinity against Alpha-1 adrenergic receptor in rat brain membrane using [3H]-Prazosin as radioligand	ChEMBL.	8759642
IC50 (binding)	= 448 nM	Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H]-Spiroperidol as radioligand	ChEMBL.	8759642
IC50 (binding)	= 448 nM	Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H]-Spiroperidol as radioligand	ChEMBL.	8759642
IC50 (binding)	= 1380 nM	Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using [3H]-yohimbine as radioligand	ChEMBL.	8759642
IC50 (binding)	= 1380 nM	Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using [3H]-yohimbine as radioligand	ChEMBL.	8759642
IC50 (binding)	= 1710 nM	Binding affinity against 5-hydroxytryptamine 2 receptor in rat brain using [3H]-ketanserin as radioligand	ChEMBL.	8759642
IC50 (binding)	= 1710 nM	Binding affinity against 5-hydroxytryptamine 2 receptor in rat brain using [3H]-ketanserin as radioligand	ChEMBL.	8759642
Ki (binding)	= 22 nM	Displacement of [3H]-YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells	ChEMBL.	No reference
Ki (binding)	= 22 nM	Displacement of [3H]-YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells	ChEMBL.	No reference
Ki (binding)	= 142 nM	Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat cerebral cortex	ChEMBL.	No reference
Ki (binding)	= 142 nM	Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat cerebral cortex	ChEMBL.	No reference
Ki (binding)	= 150 nM	Displacement of [3H]-spiperone from Dopamine receptor D2 of rat corpora striata synaptic membranes	ChEMBL.	No reference
Ki (binding)	= 150 nM	Displacement of [3H]-spiperone from Dopamine receptor D2 of rat corpora striata synaptic membranes	ChEMBL.	No reference
Ratio (binding)	= 5	Selectivity ratio; inhibition of specific binding (IC50) to 5-hydroxytryptamine 1A receptor versus Alpha-1 adrenergic receptor	ChEMBL.	8759642
Ratio (binding)	= 6	Selectivity ratio towards D4 receptor to that of alpha 1 receptor	ChEMBL.	No reference
Ratio (binding)	= 7	Selectivity ratio towards D4 receptor to that of D2 receptor	ChEMBL.	No reference
Ratio (binding)	= 13	Selectivity ratio of IC50 against 5-hydroxytryptamine 1A receptor to IC50 against Dopamine receptor D2	ChEMBL.	8759642
Ratio (binding)	= 40	Selectivity ratio of IC50 against 5-hydroxytryptamine 1A receptor to IC50 against Alpha-2 adrenergic receptor	ChEMBL.	8759642
Ratio (binding)	= 49	Selectivity ratio of IC50 of 5-hydroxytryptamine 1A receptor to IC50 of 5-hydroxytryptamine 2 receptor	ChEMBL.	8759642

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: CHEMBL26426
PubChem: 10740968

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 34648