TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 451.558 | Formula: C26H33N3O4
H donors: 0 H acceptors: 0 LogP: 3.74 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)OCC1C2=NOC1CN1CCN(CC1)CCCc1ccccc1
InChi: 1S/C26H33N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,25H,6,9-14,17-18H2,1-2H3
InChiKey: WYFPZXUWZCKNMJ-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
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2A	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2C	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin 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
Echinococcus granulosus	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 japonicum	Sodium-dependent noradrenaline 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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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
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)	norepinephrine transporter	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
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
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
Loa Loa (eye worm)	serotonin transporter b	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)	solute carrier family 6 member 4	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
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
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 %
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 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	RNA binding protein	0.0584	0.2964	0.2964
Brugia malayi	Tyrosine-protein kinase abl-1	0.0277	0.1284	0.1284
Brugia malayi	steroid hormone receptor	0.0064	0.0116	0.0116
Brugia malayi	Nuclear hormone receptor-like 1	0.0064	0.0116	0.0116
Brugia malayi	Smad1	0.0127	0.0465	0.0465
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0349	0.1679	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.019	0.0338
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0085	0.0232	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0803	0.0803
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0073	0.0167	0.0297
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0073	0.0169	0.0169
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0349	0.1679	0.4816
Loa Loa (eye worm)	MH1 domain-containing protein	0.0057	0.0079	0.0079
Brugia malayi	MH1 domain containing protein	0.0127	0.0465	0.0465
Toxoplasma gondii	LsmAD domain-containing protein	0.0189	0.0803	0.4113
Schistosoma mansoni	smad1 5 8 and	0.0127	0.0465	0.0827
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0349	0.1679	1
Echinococcus granulosus	Glycosyl transferase family 8	0.0073	0.0169	0.0485
Schistosoma mansoni	coup transcription factor	0.0064	0.0116	0.0206
Schistosoma mansoni	hypothetical protein	0.0495	0.2478	0.4407
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.019	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.0116	0.0332
Echinococcus multilocularis	ecdysone induced protein 78C	0.0064	0.0116	0.0332
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0539	0.2715	0.7789
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0073	0.0167	0.0167
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0495	0.2478	0.7107
Brugia malayi	ecdysteroid receptor	0.0064	0.0116	0.0116
Echinococcus granulosus	mothers against decapentaplegic 6	0.0057	0.0079	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0258	0.1178	0.1178
Loa Loa (eye worm)	hypothetical protein	0.107	0.5622	0.5622
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.0045	0.0128
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0064	0.0116	0.0116
Schistosoma mansoni	glycosyltransferase-related	0.0073	0.0169	0.0301
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0064	0.0116	0.0116
Echinococcus multilocularis	FTZ F1 alpha	0.0064	0.0116	0.0332
Leishmania major	hypothetical protein, conserved	0.0189	0.0803	0.478
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0064	0.0116	0.0116
Schistosoma mansoni	hypothetical protein	0.0495	0.2478	0.4407
Schistosoma mansoni	Smad4	0.0127	0.0465	0.0827
Brugia malayi	MH2 domain containing protein	0.0057	0.0079	0.0079
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0495	0.2478	0.2478
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0349	0.1679	1
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0057	0.0079	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0167	0.0167
Schistosoma mansoni	smad1 5 8 and	0.0127	0.0465	0.0827
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.0116	0.0332
Onchocerca volvulus	Bile acid receptor homolog	0.0064	0.0116	0.4134
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0349	0.1679	0.4816
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0064	0.0116	0.0116
Schistosoma mansoni	hypothetical protein	0.0085	0.0232	0.0413
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0495	0.2478	0.7107
Schistosoma mansoni	thyroid hormone receptor	0.0064	0.0116	0.0206
Brugia malayi	TAR-binding protein	0.0584	0.2964	0.2964
Loa Loa (eye worm)	nuclear factor I	0.007	0.0153	0.0153
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0085	0.0232	0.0665
Brugia malayi	MH1 domain containing protein	0.007	0.0153	0.0153
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0127	0.0465	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0167	0.0167
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0064	0.0116	0.0332
Loa Loa (eye worm)	nuclear hormone receptor	0.0505	0.2532	0.2532
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0127	0.0465	0.1334
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.0045	0.0266
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0064	0.0116	0.0116
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0064	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0064	0.0116	0.0206
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.0045	0.2351
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0064	0.0116	0.0116
Loa Loa (eye worm)	steroid hormone receptor	0.0064	0.0116	0.0116
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0064	0.0116	0.0332
Plasmodium falciparum	ataxin-2 like protein, putative	0.0189	0.0803	0.4113
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0054	0.0066	0.0188
Brugia malayi	MH2 domain containing protein	0.0127	0.0465	0.0465
Brugia malayi	Steroid receptor seven-up type 2	0.0539	0.2715	0.2715
Schistosoma mansoni	hypothetical protein	0.107	0.5622	1
Brugia malayi	MH2 domain containing protein	0.0127	0.0465	0.0465
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0054	0.0066	0.0188
Echinococcus granulosus	GPCR family 2	0.0495	0.2478	0.7107
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0071	0.0156	0.0448
Echinococcus granulosus	Smad4	0.0127	0.0465	0.1334
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.019	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0064	0.0116	0.0116
Echinococcus multilocularis	serotonin transporter	0.0073	0.0167	0.0479
Echinococcus multilocularis	smad	0.0127	0.0465	0.1334
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.019	0.0546
Loa Loa (eye worm)	MH2 domain-containing protein	0.1871	1	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.068	0.3486	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0539	0.2715	0.7789
Brugia malayi	hypothetical protein	0.0189	0.0803	0.0803
Schistosoma mansoni	Smad4	0.0057	0.0079	0.0141
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0495	0.2478	0.7107
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0064	0.0116	0.4134
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.0116	0.0332
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.0045	0.0128
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.019	1
Brugia malayi	Probable ClpP-like protease	0.0077	0.019	0.019
Loa Loa (eye worm)	norepinephrine transporter	0.0073	0.0167	0.0167
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0042	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0349	0.1679	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0064	0.0116	0.0206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0064	0.0116	0.0116
Schistosoma mansoni	sodium/chloride dependent transporter	0.0073	0.0167	0.0297
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0349	0.1679	0.2986
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.0116	0.0332
Brugia malayi	MH1 domain containing protein	0.0127	0.0465	0.0465
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0349	0.1679	0.4816
Schistosoma mansoni	smad	0.0127	0.0465	0.0827
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0349	0.1679	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1566	0.8332	0.8332
Loa Loa (eye worm)	transcription factor SMAD2	0.1871	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0057	0.0079	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0064	0.0116	0.0116
Onchocerca volvulus		0.0073	0.0167	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0064	0.0116	0.0116
Schistosoma mansoni	tar DNA-binding protein	0.0584	0.2964	0.5272
Loa Loa (eye worm)	hypothetical protein	0.007	0.0153	0.0153
Schistosoma mansoni	hypothetical protein	0.0495	0.2478	0.4407
Onchocerca volvulus	Protein ultraspiracle homolog	0.0064	0.0116	0.4134
Brugia malayi	Isocitrate dehydrogenase	0.0349	0.1679	0.1679
Brugia malayi	isocitrate dehydrogenase	0.0349	0.1679	0.1679
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0127	0.0465	0.1334
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0071	0.0156	0.0448
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0042	0	0.5
Schistosoma mansoni	Smad4	0.0057	0.0079	0.0141
Brugia malayi	Latrophilin receptor protein 2	0.0495	0.2478	0.2478
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0064	0.0116	0.0206
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.019	1
Schistosoma mansoni	tyrosine kinase	0.067	0.3433	0.6106
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0064	0.0116	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0064	0.0116	0.0116
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0064	0.0116	0.0116
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.0465	0.0465
Schistosoma mansoni	hypothetical protein	0.0495	0.2478	0.4407
Toxoplasma gondii	isocitrate dehydrogenase	0.0349	0.1679	1
Schistosoma mansoni	tar DNA-binding protein	0.0584	0.2964	0.5272
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0349	0.1679	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0073	0.0167	0.0167
Schistosoma mansoni	thyroid hormone receptor	0.0064	0.0116	0.0206
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.019	1
Echinococcus multilocularis	Smad4	0.0127	0.0465	0.1334
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0073	0.0169	0.0485
Loa Loa (eye worm)	TK/ABL protein kinase	0.068	0.3486	0.3486
Schistosoma mansoni	tar DNA-binding protein	0.0584	0.2964	0.5272
Echinococcus multilocularis	tar DNA binding protein	0.0584	0.2964	0.8502
Schistosoma mansoni	RAR-like nuclear receptor	0.0064	0.0116	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0064	0.0116	0.0116
Schistosoma mansoni	tar DNA-binding protein	0.0584	0.2964	0.5272
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1566	0.8332	0.8332
Loa Loa (eye worm)	serotonin transporter b	0.0073	0.0167	0.0167
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0349	0.1679	0.4816
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0167	0.0167
Toxoplasma gondii	isocitrate dehydrogenase	0.0349	0.1679	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0301	0.1412	0.1412
Plasmodium vivax	ataxin-2 like protein, putative	0.0189	0.0803	0.4113
Brugia malayi	latrophilin 2 splice variant baaae	0.107	0.5622	0.5622
Brugia malayi	nuclear receptor NHR-88	0.0064	0.0116	0.0116
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0064	0.0116	0.0206
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0064	0.0116	0.0332
Loa Loa (eye worm)	RNA binding protein	0.0584	0.2964	0.2964
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0064	0.0116	0.0332
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.0045	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Loa Loa (eye worm)	MH1 domain-containing protein	0.0127	0.0465	0.0465
Echinococcus granulosus	tar DNA binding protein	0.0584	0.2964	0.8502
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0071	0.0156	0.0448
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0127	0.0465	0.1334
Brugia malayi	MH1 domain containing protein	0.007	0.0153	0.0153
Schistosoma mansoni	tar DNA-binding protein	0.0584	0.2964	0.5272
Loa Loa (eye worm)	Smad1	0.0127	0.0465	0.0465
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.019	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0189	0.0803	0.4113
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0064	0.0116	0.0116
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0064	0.0116	0.0332
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0064	0.0116	0.0116
Loa Loa (eye worm)	TAR-binding protein	0.0584	0.2964	0.2964
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0064	0.0116	0.0206
Echinococcus granulosus	tyrosine protein kinase ABL1	0.068	0.3486	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0064	0.0116	0.0332
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0349	0.1679	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.019	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.019	0.5
Echinococcus granulosus	mothers against decapentaplegic 2	0.0057	0.0079	0.0228
Echinococcus granulosus	smad	0.0127	0.0465	0.1334
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0064	0.0116	0.0116
Brugia malayi	Glycosyl transferase family 8 protein	0.0073	0.0169	0.0169
Schistosoma mansoni	retinoic acid receptor RXR	0.0064	0.0116	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0509	0.2551	0.2551
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0064	0.0116	0.0116
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0071	0.0156	0.0448
Onchocerca volvulus		0.0064	0.0116	0.4134
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0064	0.0116	0.0332
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0349	0.1679	0.1679
Echinococcus granulosus	FTZ F1 alpha	0.0064	0.0116	0.0332
Schistosoma mansoni	smad1 5 8 and	0.0127	0.0465	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0301	0.1412	0.1412
Brugia malayi	mothers against decapentaplegic homolog 3	0.0057	0.0079	0.0079
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0349	0.1679	0.4816
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0495	0.2478	0.7107
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0077	0.019	0.019
Echinococcus granulosus	mothers against decapentaplegic 5	0.0127	0.0465	0.1334
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0064	0.0116	0.0116
Brugia malayi	Tyrosine-protein kinase abl-1	0.0412	0.2022	0.2022
Echinococcus granulosus	serotonin transporter	0.0073	0.0167	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0079	0.0079
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.0116	0.0206
Schistosoma mansoni	smad	0.0057	0.0079	0.0141
Brugia malayi	nuclear hormone receptor	0.0064	0.0116	0.0116
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0064	0.0116	0.0206
Echinococcus multilocularis	conserved hypothetical protein	0.0054	0.0066	0.0188
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0495	0.2478	0.2478
Echinococcus multilocularis	isocitrate dehydrogenase	0.0349	0.1679	0.4816
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1566	0.8332	0.8332
Loa Loa (eye worm)	MH2 domain-containing protein	0.0057	0.0079	0.0079
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0064	0.0116	0.0116
Brugia malayi	RNA recognition motif domain containing protein	0.0584	0.2964	0.2964
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0277	0.1284	0.3682
Loa Loa (eye worm)	hypothetical protein	0.1566	0.8332	0.8332
Echinococcus multilocularis	GPCR, family 2	0.0495	0.2478	0.7107
Loa Loa (eye worm)	hypothetical protein	0.0495	0.2478	0.2478
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0584	0.2964	0.2964
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0064	0.0116	0.0332
Echinococcus granulosus	ecdysone induced protein 78C	0.0064	0.0116	0.0332
Brugia malayi	hypothetical protein	0.0122	0.0436	0.0436
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0349	0.1679	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 2.5 mg kg-1	In vivo effective dose required to inhibit xylazine-induced loss of righting in rats upon subcutaneous administration	ChEMBL.	12873501
ED50 (functional)	= 2.5 mg kg-1	In vivo effective dose required to inhibit xylazine-induced loss of righting in rats upon subcutaneous administration	ChEMBL.	12873501
ED50 (functional)	= 5 mg kg-1	In vivo effective dose required to inhibit p-chloroamphetamine induced excitation in rats upon subcutaneous administration	ChEMBL.	12873501
ED50 (functional)	= 5 mg kg-1	In vivo effective dose required to inhibit p-chloroamphetamine induced excitation in rats upon subcutaneous administration	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)	= 10 nM	In vitro binding affinity towards rat serotonin transporter	ChEMBL.	12873501
Ki (binding)	= 10 nM	In vitro binding affinity towards rat serotonin transporter	ChEMBL.	12873501
Ki (binding)	= 26 nM	In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 26 nM	In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 42 nM	In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine	ChEMBL.	12873501
Ki (binding)	= 42 nM	In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine	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: CHEMBL90419

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 149654