TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 484.585 | Formula: C27H36N2O6
H donors: 2 H acceptors: 3 LogP: 1.4 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@]1(CCCN(C)C)CCCO1)OC
InChi: 1S/C27H36N2O6/c1-29(2)16-6-14-27(15-7-17-35-27)26(32)28-21(25(30)31)18-19-10-12-20(13-11-19)24-22(33-3)8-5-9-23(24)34-4/h5,8-13,21H,6-7,14-18H2,1-4H3,(H,28,32)(H,30,31)/t21-,27+/m0/s1
InChiKey: FNQSXZJGCVTEOX-KDYSTLNUSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	integrin, beta 7	Starlite/ChEMBL	References
Homo sapiens	integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	sulfakinin receptor protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	orexin receptor type 2	0.0253	0.0651	0.0651
Echinococcus granulosus	serotonin receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Schistosoma mansoni	neuropeptide receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	dro:myosuppressin receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Schistosoma mansoni	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0253	0.0651	0.0651
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	tm gpcr rhodopsin	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Schistosoma mansoni	adenoreceptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Brugia malayi	Serotonin receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	sex peptide receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0253	0.0651	0.0651
Brugia malayi	Dopamine receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	somatostatin receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	neuropeptide f receptor 76f	0.0253	0.0651	0.0651
Echinococcus multilocularis	integrin beta 2	0.0616	0.2362	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0581	0.2197	0.2197
Onchocerca volvulus		0.0253	0.0651	0.5
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	serotonin receptor	0.0253	0.0651	0.0651
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0253	0.0651	0.0651
Brugia malayi	putative neuropeptide receptor NPR1	0.0253	0.0651	0.0651
Brugia malayi	follicle stimulating hormone receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptide s receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	integrin beta 2	0.0616	0.2362	0.2362
Schistosoma mansoni	neuropeptide F-like receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptide FF receptor 2	0.0253	0.0651	0.0651
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0253	0.0651	0.0651
Brugia malayi	RE15519p	0.0253	0.0651	0.0651
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide Y receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0581	0.2197	0.2197
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0253	0.0651	0.0651
Schistosoma mansoni	voltage-gated potassium channel	0.0168	0.0252	0.0252
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0253	0.0651	0.0651
Brugia malayi	AKH receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	amine GPCR	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	amine GPCR	0.0253	0.0651	0.0651
Echinococcus granulosus	biogenic amine 5HT receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0543	0.2017	1
Brugia malayi	GnHR receptor homolog	0.0253	0.0651	0.0651
Echinococcus multilocularis	G protein coupled receptor 139	0.0253	0.0651	0.0651
Schistosoma mansoni	voltage-gated potassium channel	0.0635	0.2449	0.2449
Echinococcus granulosus	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	integrin beta subunit	0.049	0.1766	0.1766
Schistosoma mansoni	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	melatonin receptor type 1A	0.0253	0.0651	0.0651
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine receptor	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0168	0.0252	0.0252
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0168	0.0252	0.0252
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus multilocularis	serotonin receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	fmrfamide receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	growth hormone secretagogue receptor	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0253	0.0651	0.0651
Schistosoma mansoni	voltage-gated potassium channel	0.0168	0.0252	0.0252
Echinococcus multilocularis	allatostatin A receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	g protein coupled receptor	0.0253	0.0651	0.0651
Brugia malayi	G protein-coupled receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus granulosus	g protein coupled receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0253	0.0651	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	amine GPCR	0.0253	0.0651	0.0651
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0253	0.0651	0.0651
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0253	0.0651	0.0651
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide Y receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0253	0.0651	0.0651
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0253	0.0651	0.0651
Echinococcus granulosus	g-protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	tm gpcr rhodopsin	0.0253	0.0651	0.0651
Loa Loa (eye worm)	G-protein coupled receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	opsin-like receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.2238	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus granulosus	voltage gated potassium channel	0.0168	0.0252	0.0252
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	opsin-like receptor	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0126	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0054	0.0054
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide s receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0253	0.0651	0.0651
Loa Loa (eye worm)	G-protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptide receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Echinococcus granulosus	g protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	g protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	g protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	Melatonin receptor type 1A	0.0253	0.0651	0.0651
Brugia malayi	Dopamine receptor protein 1	0.0253	0.0651	0.0651
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0543	0.2017	1
Brugia malayi	Integrin beta pat-3 precursor	0.0714	0.2824	0.2824
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide receptor A26	0.0253	0.0651	0.0651
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0253	0.0651	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptides capa receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	amine GPCR	0.0253	0.0651	0.0651
Brugia malayi	putative neuropeptide receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	dro:myosuppressin receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0253	0.0651	0.0651
Brugia malayi	G-protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	voltage gated potassium channel	0.0168	0.0252	0.0252
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0581	0.2197	0.2197
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus granulosus	biogenic amine 5HT receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	larval opioid receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	G protein-coupled receptor F59B2.13	0.0253	0.0651	0.0651
Echinococcus granulosus	tm gpcr rhodopsin	0.0253	0.0651	0.0651
Schistosoma mansoni	amine GPCR	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide receptor	0.0253	0.0651	0.0651
Brugia malayi	Dopamine receptor protein 2	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0253	0.0651	0.0651
Brugia malayi	G-protein coupled receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptides capa receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0253	0.0651	0.0651
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	orexin receptor type 2	0.0253	0.0651	0.0651
Loa Loa (eye worm)	neuropeptide F receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0253	0.0651	0.0651
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0253	0.0651	0.0651
Echinococcus granulosus	7tm_1 domain containing protein	0.0253	0.0651	0.0651
Schistosoma mansoni	histamine h1 receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0126	0.0054	0.0054
Echinococcus granulosus	allatostatin A receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptide receptor A26	0.0253	0.0651	0.0651
Schistosoma mansoni	neuropeptide receptor	0.0253	0.0651	0.0651
Brugia malayi	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	ORL1-like opioid receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptides capa receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	neuropeptide receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	neuropeptide receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Echinococcus multilocularis	g-protein coupled receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	neuropeptide F receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	Hyaluronidase	0.2238	1	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Brugia malayi	Serotonin receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptide Y receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hyaluronidase	0.2238	1	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0253	0.0651	0.0651
Echinococcus multilocularis	sex peptide receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0581	0.2197	0.2197
Schistosoma mansoni	neuropeptide receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0253	0.0651	0.0651
Echinococcus granulosus	7TM GPCR rhodopsin	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0635	0.2449	0.2449
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Brugia malayi	neuropeptide F receptor	0.0253	0.0651	0.0651
Schistosoma mansoni	opsin-like receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	bifunctional protein NCOAT	0.2238	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	integrin beta-2	0.0714	0.2824	0.2824
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0253	0.0651	0.0651
Echinococcus granulosus	bifunctional protein NCOAT	0.2238	1	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0252	0.0252
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0253	0.0651	0.0651
Onchocerca volvulus		0.0253	0.0651	0.5
Brugia malayi	neuropeptide F receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	myosin xvIII	0.0253	0.0651	0.0651
Echinococcus granulosus	fmrfamide receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	TYRA-2 protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	neuropeptide receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus multilocularis	g protein coupled receptor	0.0253	0.0651	0.0651
Echinococcus granulosus	G protein coupled receptor 139	0.0253	0.0651	0.0651
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0168	0.0252	0.0252
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0505	0.1835	0.1835
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	hypothetical protein	0.0253	0.0651	0.0651
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0651	0.0651
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Echinococcus granulosus	somatostatin receptor	0.0253	0.0651	0.0651
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0253	0.0651	0.0651
Brugia malayi	Kelch motif family protein	0.0126	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0951	0.3937	0.3937
Echinococcus granulosus	rhodopsin orphan GPCR	0.0253	0.0651	0.0651

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.18 nM	Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin	ChEMBL.	12031329
IC50 (binding)	= 9.18 nM	Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin	ChEMBL.	12031329
IC50 (binding)	= 67 nM	Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin	ChEMBL.	12031329
IC50 (binding)	= 67 nM	Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin	ChEMBL.	12031329
Ratio (binding)	= 7	Selectivity for alpha4-beta7 to that of alpha4-beta1	ChEMBL.	12031329

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 52417