TDR Targets

Basic information

Technical information

TDR Targets ID: 1311034
Name: ethyl 5-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2 -enoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-c arboxylate
MW: 415.436 | Formula: C22H25NO7
H donors: 1 H acceptors: 3 LogP: 3.66 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(C)[nH]c(c1C)C(=O)COC(=O)/C=C/c1cccc(c1OC)OC
InChi: 1S/C22H25NO7/c1-6-29-22(26)19-13(2)20(23-14(19)3)16(24)12-30-18(25)11-10-15-8-7-9-17(27-4)21(15)28-5/h7-11,23H,6,12H2,1-5H3/b11-10+
InChiKey: GWRJEWRZKGDXMX-ZHACJKMWSA-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

ethyl 5-[2-[3-(2,3-dimethoxyphenyl)prop-2-enoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
5-[2-[(E)-3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
5-[2-[3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
5-[2-[(E)-3-(2,3-dimethoxyphenyl)acryloyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
5-[2-[3-(2,3-dimethoxyphenyl)acryloyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
ethyl 5-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[2-[3-(2,3-dimethoxyphenyl)prop-2-enoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
T5249352
MLS000335864
SMR000253618
ZINC02658637

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	follicle stimulating hormone receptor	0.0089	0.0228	0.0212
Plasmodium falciparum	subtilisin-like protease 1	0.01	0.0278	1
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0479	0.2036	0.3553
Brugia malayi	putative neuropeptide receptor NPR1	0.0089	0.0228	0.0212
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0089	0.0228	0.0212
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0089	0.0228	0.0212
Echinococcus multilocularis	neuroendocrine convertase 2	0.15	0.677	0.8573
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0278	0.0485
Echinococcus granulosus	orexin receptor type 2	0.0089	0.0228	0.0212
Echinococcus multilocularis	allatostatin A receptor	0.0089	0.0228	0.0269
Onchocerca volvulus		0.01	0.0278	0.5557
Schistosoma mansoni	biogenic amine receptor	0.0089	0.0228	0.0212
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0089	0.0228	0.0269
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Brugia malayi	AKH receptor	0.0089	0.0228	0.0212
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	serotonin receptor	0.0089	0.0228	0.0269
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0089	0.0228	0.0212
Toxoplasma gondii	subtilisin SUB8	0.01	0.0278	0.7988
Brugia malayi	sulfakinin receptor protein	0.0089	0.0228	0.0212
Loa Loa (eye worm)	G-protein coupled receptor	0.0089	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	adenoreceptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Plasmodium falciparum	subtilisin-like protease 3	0.01	0.0278	1
Schistosoma mansoni	opsin-like receptor	0.0089	0.0228	0.0212
Toxoplasma gondii	subtilisin SUB10	0.01	0.0278	0.7988
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.01	0.0278	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.058	0.2502	0.4365
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	amine GPCR	0.0089	0.0228	0.0212
Plasmodium falciparum	subtilisin-like protease 2	0.01	0.0278	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0089	0.0228	0.0269
Schistosoma mansoni	neuropeptide receptor	0.042	0.176	0.1747
Echinococcus granulosus	g protein coupled receptor	0.0089	0.0228	0.0212
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0069	0.0053
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0278	0.0485
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0053	0.0056	0.004
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.01	0.0278	0.5
Trichomonas vaginalis	retinoblastoma binding protein, putative	0.0076	0.0164	0.0286
Echinococcus multilocularis	neuropeptide s receptor	0.0089	0.0228	0.0269
Echinococcus multilocularis	neuropeptide receptor	0.0089	0.0228	0.0269
Leishmania major	subtilisin-like serine peptidase	0.01	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0187	0.0681	0.0681
Echinococcus multilocularis	wd40 repeat	0.0076	0.0164	0.0188
Loa Loa (eye worm)	hypothetical protein	0.2196	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0089	0.0228	0.0269
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0089	0.0228	0.4299
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0053	0.0056	0.004
Echinococcus granulosus	fmrfamide receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Toxoplasma gondii	subtilisin SUB6	0.01	0.0278	0.7988
Loa Loa (eye worm)	proprotein convertase 2	0.058	0.2502	0.2502
Schistosoma mansoni	hypothetical protein	0.0089	0.0228	0.0212
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	neuropeptides capa receptor	0.0089	0.0228	0.0212
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.01	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	fmrfamide receptor	0.0089	0.0228	0.0269
Schistosoma mansoni	biogenic amine receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Onchocerca volvulus		0.0089	0.0228	0.4299
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0089	0.0228	0.0212
Toxoplasma gondii	subtilisin SUB1	0.01	0.0278	0.7988
Onchocerca volvulus		0.0089	0.0228	0.4299
Echinococcus multilocularis	neuropeptides capa receptor	0.0089	0.0228	0.0269
Schistosoma mansoni	retinoblastoma binding protein	0.0076	0.0164	0.0148
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0089	0.0228	0.4299
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Echinococcus granulosus	7tm_1 domain containing protein	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Giardia lamblia	High cysteine membrane protein Group 2	0.0722	0.3161	1
Brugia malayi	proprotein convertase 2	0.15	0.677	0.6765
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Echinococcus multilocularis	orexin receptor type 2	0.0089	0.0228	0.0269
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.058	0.2502	0.4365
Toxoplasma gondii	subtilisin SUB12	0.0115	0.0348	1
Onchocerca volvulus		0.0089	0.0228	0.4299
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0089	0.0228	0.0212
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0089	0.0228	0.0269
Echinococcus multilocularis	g protein coupled receptor	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0089	0.0228	0.0269
Echinococcus granulosus	biogenic amine 5HT receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Loa Loa (eye worm)	hypothetical protein	0.01	0.0278	0.0278
Echinococcus multilocularis	g protein coupled receptor	0.0089	0.0228	0.0269
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Schistosoma mansoni	hypothetical protein	0.0454	0.1918	0.1905
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0053	0.0056	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Toxoplasma gondii	subtilisin SUB7	0.01	0.0278	0.7988
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Echinococcus granulosus	hypothetical protein	0.0089	0.0228	0.0212
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0089	0.0228	0.0269
Onchocerca volvulus		0.0089	0.0228	0.4299
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	neuropeptide F-like receptor	0.0089	0.0228	0.0212
Brugia malayi	Dopamine receptor	0.0089	0.0228	0.0212
Onchocerca volvulus		0.0089	0.0228	0.4299
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0126	0.0396	0.0381
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	neuropeptide receptor	0.0089	0.0228	0.0212
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.01	0.0278	0.5
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.01	0.0278	0.0262
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.01	0.0278	0.0262
Brugia malayi	ORL1-like opioid receptor	0.0089	0.0228	0.0212
Schistosoma mansoni	furin-1 (S08 family)	0.1021	0.4547	0.4538
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	neuropeptide F receptor	0.0089	0.0228	0.0228
Echinococcus granulosus	neuropeptide receptor	0.042	0.176	0.1747
Echinococcus multilocularis	membrane bound transcription factor site 1	0.01	0.0278	0.0332
Toxoplasma gondii	subtilisin SUB4	0.01	0.0278	0.7988
Echinococcus multilocularis	Furin 1	0.058	0.2502	0.3155
Schistosoma mansoni	site-1 peptidase (S08 family)	0.01	0.0278	0.0262
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0089	0.0228	0.0212
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0089	0.0228	0.0212
Echinococcus multilocularis	epidermal growth factor receptor	0.0134	0.0434	0.0531
Brugia malayi	Will die slowly protein	0.0138	0.0455	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Echinococcus granulosus	inhibitor of apoptosis protein	0.0053	0.0056	0.004
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0089	0.0228	0.0269
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0089	0.0228	0.0212
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1276	0.5731	1
Echinococcus granulosus	g protein coupled receptor	0.0089	0.0228	0.0212
Brugia malayi	neuroendocrine convertase 1 precursor	0.1662	0.752	0.7516
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0053	0.0056	0.004
Schistosoma mansoni	inhibitor of apoptosis protein	0.0053	0.0056	0.004
Schistosoma mansoni	site-1 peptidase (S08 family)	0.01	0.0278	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	SPRY domain-containing protein	0.0044	0.0016	0.0016
Onchocerca volvulus		0.0138	0.0455	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0089	0.0228	0.0212
Loa Loa (eye worm)	endoprotease bli-4	0.2196	1	1
Schistosoma mansoni	biogenic amine receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	myosin xvIII	0.0089	0.0228	0.0212
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.01	0.0278	0.0262
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0278	0.0485
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0069	0.0053
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0164	0.0286
Schistosoma mansoni	hypothetical protein	0.0089	0.0228	0.0212
Echinococcus granulosus	sex peptide receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	g-protein coupled receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0089	0.0228	0.0212
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.01	0.0278	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0089	0.0228	0.0269
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.1276	0.5731	0.7254
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0016	0.0028
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Echinococcus multilocularis	G protein coupled receptor 139	0.042	0.176	0.2213
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Brugia malayi	neuropeptide F receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Mycobacterium leprae	Possible secreted protease	0.01	0.0278	0.5
Loa Loa (eye worm)	subtilase	0.01	0.0278	0.0278
Trypanosoma cruzi	subtilisin peptidase	0.01	0.0278	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0089	0.0228	0.0212
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Echinococcus granulosus	furin	0.2196	1	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Echinococcus granulosus	epidermal growth factor receptor	0.0134	0.0434	0.0419
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0089	0.0228	0.0212
Schistosoma mansoni	amine GPCR	0.0089	0.0228	0.0212
Schistosoma mansoni	amine GPCR	0.0089	0.0228	0.0212
Schistosoma mansoni	growth hormone secretagogue receptor	0.0089	0.0228	0.0212
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0454	0.1918	0.3346
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Schistosoma mansoni	hypothetical protein	0.0138	0.0455	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0089	0.0228	0.0269
Echinococcus granulosus	7TM GPCR rhodopsin	0.0089	0.0228	0.0212
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Echinococcus multilocularis	fmrfamide receptor	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0069	0.0067
Echinococcus granulosus	membrane bound transcription factor site 1	0.01	0.0278	0.0262
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0089	0.0228	0.0212
Echinococcus granulosus	neuropeptide Y receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Brugia malayi	G-protein coupled receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	neuropeptide s receptor	0.0089	0.0228	0.0212
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0089	0.0228	0.0212
Echinococcus granulosus	tm gpcr rhodopsin	0.0089	0.0228	0.0212
Echinococcus multilocularis	neuropeptide receptor A26	0.0089	0.0228	0.0269
Echinococcus multilocularis	g-protein coupled receptor	0.0089	0.0228	0.0269
Echinococcus granulosus	serotonin receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0089	0.0228	0.0212
Echinococcus multilocularis	g protein coupled receptor	0.0089	0.0228	0.0269
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.058	0.2502	0.4365
Echinococcus multilocularis	sex peptide receptor	0.0089	0.0228	0.0269
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0089	0.0228	0.0269
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.01	0.0278	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0089	0.0228	0.0269
Echinococcus granulosus	Furin 1	0.058	0.2502	0.2489
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.01	0.0278	0.5
Toxoplasma gondii	subtilisin SUB9	0.01	0.0278	0.7988
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.058	0.2502	0.4365
Brugia malayi	Serotonin receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Echinococcus multilocularis	serotonin receptor	0.0089	0.0228	0.0269
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0134	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Brugia malayi	Furin-like cysteine rich region family protein	0.0134	0.0434	0.0419
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0089	0.0228	0.0212
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Plasmodium vivax	subtilisin-like serine protease, putative	0.01	0.0278	1
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0053	0.0056	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.2196	1	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0089	0.0228	0.0269
Brugia malayi	RE15519p	0.0089	0.0228	0.0212
Brugia malayi	celfurPC protein	0.1743	0.7895	0.7891
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Schistosoma mansoni	amine GPCR	0.0089	0.0228	0.0212
Toxoplasma gondii	subtilisin SUB5	0.01	0.0278	0.7988
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.01	0.0278	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Echinococcus granulosus	neuroendocrine convertase 2	0.15	0.677	0.6765
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0069	0.0053
Schistosoma mansoni	histamine h1 receptor	0.0089	0.0228	0.0212
Onchocerca volvulus		0.0089	0.0228	0.4299
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0089	0.0228	0.0269
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0053	0.0056	0.0051
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Loa Loa (eye worm)	G-protein coupled receptor	0.0089	0.0228	0.0228
Schistosoma mansoni	hypothetical protein	0.0089	0.0228	0.0212
Onchocerca volvulus		0.0089	0.0228	0.4299
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.01	0.0278	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0089	0.0228	0.0269
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Brugia malayi	Hypothetical WD-repeat protein F21H12.1 in chromosome II	0.0076	0.0164	0.0148
Loa Loa (eye worm)	WD40 repeat protein	0.0138	0.0455	0.0455
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0089	0.0228	0.0228
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Trichomonas vaginalis	WD repeat domain, putative	0.0138	0.0455	0.0794
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0228	0.0212
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0089	0.0228	0.0212
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Echinococcus multilocularis	neuropeptide receptor	0.042	0.176	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Echinococcus multilocularis	neuropeptides capa receptor	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0069	0.0053
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.058	0.2502	0.4365
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0278	0.0485
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.058	0.2502	0.2489
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	opsin-like receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0946	0.42	0.42
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Echinococcus multilocularis	somatostatin receptor	0.0089	0.0228	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Onchocerca volvulus		0.0089	0.0228	0.4299
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Loa Loa (eye worm)	TYRA-2 protein	0.0089	0.0228	0.0228
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0089	0.0228	0.0212
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0069	0.0069
Onchocerca volvulus		0.0089	0.0228	0.4299
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	amine GPCR	0.0089	0.0228	0.0212
Brugia malayi	Dopamine receptor protein 2	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.01	0.0278	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0228	0.0269
Plasmodium vivax	subtilisin-like protease 2, putative	0.01	0.0278	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0089	0.0228	0.0212
Brugia malayi	G protein-coupled receptor	0.0089	0.0228	0.0212
Schistosoma mansoni	hypothetical protein	0.0053	0.0056	0.004
Brugia malayi	G-protein coupled receptor	0.0089	0.0228	0.0212
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.01	0.0278	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus granulosus	somatostatin receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Onchocerca volvulus		0.0089	0.0228	0.4299
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Onchocerca volvulus		0.0089	0.0228	0.4299
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Brugia malayi	GnHR receptor homolog	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Toxoplasma gondii	subtilisin SUB2	0.01	0.0278	0.7988
Echinococcus multilocularis	protein will die slowly	0.0138	0.0455	0.0557
Brugia malayi	neuropeptide F receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0089	0.0228	0.0269
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Brugia malayi	putative neuropeptide receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0089	0.0228	0.0212
Brugia malayi	Serotonin receptor	0.0089	0.0228	0.0212
Toxoplasma gondii	subtilisin SUB11	0.01	0.0278	0.7988
Brugia malayi	Dopamine receptor protein 1	0.0089	0.0228	0.0212
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0089	0.0228	0.0212
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0069	0.0067
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0089	0.0228	0.0228
Echinococcus granulosus	neuropeptides capa receptor	0.0089	0.0228	0.0212
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.01	0.0278	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Trichomonas vaginalis	hypothetical protein	0.0454	0.1918	0.3346
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0089	0.0228	0.0228
Plasmodium vivax	subtilisin-like protease 1	0.01	0.0278	1
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.01	0.0278	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.058	0.2502	0.4365
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0228	0.0212
Schistosoma mansoni	neuropeptide F-like receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0164	0.0164
Trypanosoma brucei	subtilisin peptidase	0.01	0.0278	0.5
Echinococcus granulosus	protein will die slowly	0.0138	0.0455	0.0439
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.1276	0.5731	0.5724
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0228	0.0212
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.01	0.0278	0.0332
Echinococcus granulosus	allatostatin A receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Echinococcus granulosus	tm gpcr rhodopsin	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0056	0.0056
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0479	0.2036	0.3553
Onchocerca volvulus		0.0089	0.0228	0.4299
Onchocerca volvulus		0.0089	0.0228	0.4299
Schistosoma mansoni	hypothetical protein	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0056	0.0056
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.01	0.0278	0.5
Onchocerca volvulus		0.0089	0.0228	0.4299
Echinococcus granulosus	neuropeptide Y receptor	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Brugia malayi	hypothetical protein	0.0089	0.0228	0.0212
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.01	0.0278	0.0485
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0126	0.0396	0.0692
Loa Loa (eye worm)	melatonin receptor type 1A	0.0089	0.0228	0.0228
Schistosoma mansoni	tyrosine kinase	0.0134	0.0434	0.0419
Brugia malayi	Melatonin receptor type 1A	0.0089	0.0228	0.0212
Schistosoma mansoni	opsin-like receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	g protein coupled receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	neuropeptide receptor A26	0.0089	0.0228	0.0212
Onchocerca volvulus		0.0089	0.0228	0.4299
Echinococcus granulosus	wd40 repeat	0.0076	0.0164	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1276	0.5731	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0089	0.0228	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Brugia malayi	larval opioid receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0016	0.0028
Echinococcus multilocularis	neuropeptide Y receptor	0.0089	0.0228	0.0269
Echinococcus multilocularis		0.1743	0.7895	1
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0278	0.0485
Echinococcus granulosus	dro:myosuppressin receptor	0.0089	0.0228	0.0212
Echinococcus granulosus	tm gpcr rhodopsin	0.0089	0.0228	0.0212
Echinococcus multilocularis	neuropeptide Y receptor	0.0089	0.0228	0.0269
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0089	0.0228	0.0212
Brugia malayi	Subtilase family protein	0.01	0.0278	0.0262
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0069	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Loa Loa (eye worm)	neuropeptide F receptor	0.0089	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0228	0.0228
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0069	0.0053
Onchocerca volvulus		0.0089	0.0228	0.4299
Onchocerca volvulus		0.0089	0.0228	0.4299
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0089	0.0228	0.0212
Trichomonas vaginalis	conserved hypothetical protein	0.0454	0.1918	0.3346

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

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: CHEMBL1426543

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1311034