TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.807 | Formula: C21H17ClNNaO3
H donors: 0 H acceptors: 3 LogP: 5.6 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: [O-]C(=O)CCCOc1cccc(c1)/C=C/c1ccc2c(n1)ccc(c2)Cl.[Na+]
InChi: 1S/C21H18ClNO3.Na/c22-17-8-11-20-16(14-17)7-10-18(23-20)9-6-15-3-1-4-19(13-15)26-12-2-5-21(24)25;/h1,3-4,6-11,13-14H,2,5,12H2,(H,24,25);/q;+1/p-1/b9-6+;
InChiKey: UUQFQJPELCQUKV-MLBSPLJJSA-M

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	cysteinyl leukotriene receptor 1		References
Homo sapiens	cysteinyl leukotriene receptor 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0078	0.1	0.1
Loa Loa (eye worm)	G-protein coupled receptor	0.0057	0.0514	0.0514
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	tubulin beta chain	0.007	0.0828	0.0828
Loa Loa (eye worm)	beta-tubulin	0.007	0.0828	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Echinococcus granulosus	Tubulin beta 2C chain	0.007	0.0828	0.0543
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0057	0.0514	0.057
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0093	0.1345	0.1439
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0125	0.2096	0.6052
Brugia malayi	ORL1-like opioid receptor	0.0057	0.0514	0.0514
Schistosoma mansoni	amine GPCR	0.0057	0.0514	0.057
Giardia lamblia	Proteasome subunit beta type 1	0.0125	0.2096	0.6052
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0078	0.1	0.3421
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0161	0.2923	0.5
Schistosoma mansoni	hypothetical protein	0.0057	0.0514	0.057
Plasmodium vivax	aspartyl proteinase, putative	0.0145	0.2536	0.8674
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	Dopamine receptor protein 1	0.0057	0.0514	0.0514
Brugia malayi	Serotonin receptor	0.0057	0.0514	0.0514
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0057	0.0514	0.3819
Echinococcus granulosus	Tubulin beta 2C chain	0.007	0.0828	0.0543
Brugia malayi	proteasome subunit beta type 1	0.0125	0.2096	0.2096
Plasmodium vivax	tubulin beta chain, putative	0.007	0.0828	0.2832
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2536	0.2536
Echinococcus granulosus	beta tubulin	0.007	0.0828	0.0543
Onchocerca volvulus		0.0057	0.0514	0.3819
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0057	0.0514	0.0514
Echinococcus granulosus	inhibitor of apoptosis protein	0.0093	0.1345	0.1439
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0057	0.0514	0.057
Schistosoma mansoni	adenoreceptor	0.0057	0.0514	0.057
Echinococcus multilocularis	Tubulin beta 2C chain	0.007	0.0828	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Onchocerca volvulus		0.0057	0.0514	0.3819
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0057	0.0514	0.057
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0057	0.0514	0.057
Schistosoma mansoni	neuropeptide receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	neuropeptide F receptor	0.0057	0.0514	0.0514
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	TYRA-2 protein	0.0057	0.0514	0.0514
Echinococcus multilocularis	Tubulin beta 2C chain	0.007	0.0828	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0125	0.2096	0.6052
Schistosoma mansoni	amine GPCR	0.0057	0.0514	0.057
Schistosoma mansoni	neuropeptide F-like receptor	0.0057	0.0514	0.057
Brugia malayi	RE15519p	0.0057	0.0514	0.0514
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0078	0.1	0.3421
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	hypothetical protein	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0125	0.2096	0.717
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	opsin-like receptor	0.0057	0.0514	0.057
Schistosoma mansoni	tubulin subunit beta	0.007	0.0828	0.0919
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0093	0.1345	0.1345
Schistosoma mansoni	hypothetical protein	0.0057	0.0514	0.057
Onchocerca volvulus		0.0057	0.0514	0.3819
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0057	0.0514	0.0514
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0093	0.1345	0.1345
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0145	0.2536	0.3499
Brugia malayi	Melatonin receptor type 1A	0.0057	0.0514	0.0514
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0161	0.2923	1
Toxoplasma gondii	beta-tubulin, putative	0.007	0.0828	0.2832
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1345	0.1345
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0078	0.1	0.0822
Schistosoma mansoni	biogenic amine receptor	0.0057	0.0514	0.057
Schistosoma mansoni	neuropeptide f receptor 76f	0.0057	0.0514	0.057
Brugia malayi	proteasome subunit beta type 2	0.0078	0.1	0.1
Brugia malayi	sulfakinin receptor protein	0.047	1	1
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0078	0.1	0.111
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Plasmodium vivax	plasmepsin IV, putative	0.0145	0.2536	0.8674
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	neuropeptide receptor	0.0057	0.0514	0.057
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0125	0.2096	0.6052
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0057	0.0514	0.057
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	tubulin beta-1 chain	0.007	0.0828	0.0828
Brugia malayi	G-protein coupled receptor	0.0057	0.0514	0.0514
Onchocerca volvulus		0.0057	0.0514	0.3819
Schistosoma mansoni	amine GPCR	0.0057	0.0514	0.057
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Toxoplasma gondii	proteasome subunit beta type, putative	0.0161	0.2923	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Schistosoma mansoni	amine GPCR	0.0057	0.0514	0.057
Toxoplasma gondii	beta-1 tubulin, putative	0.007	0.0828	0.2832
Onchocerca volvulus		0.0057	0.0514	0.3819
Schistosoma mansoni	tubulin subunit beta	0.007	0.0828	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	neuropeptide F receptor	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	amine GPCR	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0057	0.0514	0.0514
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0125	0.2096	0.2327
Schistosoma mansoni	tubulin subunit beta	0.007	0.0828	0.0919
Schistosoma mansoni	neuropeptide receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0145	0.2536	0.2536
Schistosoma mansoni	opsin-like receptor	0.0057	0.0514	0.057
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0078	0.1	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	follicle stimulating hormone receptor	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	cathepsin D (A01 family)	0.0426	0.9006	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0426	0.9006	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	neuropeptide F receptor	0.0057	0.0514	0.0514
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0125	0.2096	0.6052
Echinococcus multilocularis	Tubulin beta 2C chain	0.007	0.0828	0.0543
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0078	0.1	0.0842
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Plasmodium falciparum	plasmepsin II	0.0145	0.2536	0.8674
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0125	0.2096	0.6052
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Onchocerca volvulus		0.0057	0.0514	0.3819
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Echinococcus granulosus	Tubulin beta 2C chain	0.007	0.0828	0.0543
Brugia malayi	beta-tubulin, identical	0.007	0.0828	0.0828
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Schistosoma mansoni	neuropeptide F-like receptor	0.0057	0.0514	0.057
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0161	0.2923	1
Plasmodium falciparum	plasmepsin I	0.0145	0.2536	0.8674
Schistosoma mansoni	myosin xvIII	0.0057	0.0514	0.057
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0161	0.2923	1
Loa Loa (eye worm)	BEN-1 protein	0.007	0.0828	0.0828
Leishmania major	proteasome beta 2 subunit, putative	0.0078	0.1	0.0822
Onchocerca volvulus		0.0057	0.0514	0.3819
Schistosoma mansoni	opsin-like receptor	0.0057	0.0514	0.057
Brugia malayi	Dopamine receptor	0.0057	0.0514	0.0514
Leishmania major	proteasome beta 5 subunit, putative	0.0161	0.2923	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0093	0.1345	0.1439
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0057	0.0514	0.0514
Plasmodium falciparum	tubulin beta chain	0.007	0.0828	0.2832
Brugia malayi	GnHR receptor homolog	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Echinococcus granulosus	tubulin subunit beta	0.007	0.0828	0.0543
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0057	0.0514	0.057
Toxoplasma gondii	beta tubulin	0.007	0.0828	0.2832
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0161	0.2923	0.4169
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	putative neuropeptide receptor	0.0057	0.0514	0.0514
Loa Loa (eye worm)	tubulin beta-2A chain	0.007	0.0828	0.0828
Loa Loa (eye worm)	neuropeptide F receptor	0.0057	0.0514	0.0514
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.007	0.0828	0.0543
Schistosoma mansoni	tubulin subunit beta	0.007	0.0828	0.0919
Echinococcus multilocularis	beta tubulin	0.007	0.0828	0.0543
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0308	0.6293	1
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0161	0.2923	0.5
Onchocerca volvulus	Deterin homolog	0.0093	0.1345	1
Brugia malayi	Proteasome A-type and B-type family protein	0.0161	0.2923	0.2923
Giardia lamblia	Proteasome subunit beta type 2	0.0078	0.1	0.0822
Echinococcus granulosus	tubulin beta 1 chain	0.007	0.0828	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0057	0.0514	0.057
Schistosoma mansoni	histamine h1 receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Plasmodium falciparum	proteasome subunit beta type-5	0.0161	0.2923	1
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0125	0.2096	0.717
Onchocerca volvulus		0.0093	0.1345	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.007	0.0828	0.0543
Echinococcus multilocularis	tubulin subunit beta	0.007	0.0828	0.0543
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0057	0.0514	0.0514
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	melatonin receptor type 1A	0.0057	0.0514	0.0514
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0161	0.2923	1
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0078	0.1	0.0842
Schistosoma mansoni	biogenic amine receptor	0.0057	0.0514	0.057
Trypanosoma cruzi	20S proteasome subunit	0.0078	0.1	0.0822
Brugia malayi	larval opioid receptor	0.0057	0.0514	0.0514
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0057	0.0514	0.3819
Loa Loa (eye worm)	G-protein coupled receptor	0.0057	0.0514	0.0514
Schistosoma mansoni	hypothetical protein	0.0093	0.1345	0.1494
Brugia malayi	putative neuropeptide receptor NPR1	0.0057	0.0514	0.0514
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0145	0.2536	0.2816
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Plasmodium falciparum	plasmepsin IV	0.0145	0.2536	0.8674
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0125	0.2096	0.717
Brugia malayi	AKH receptor	0.0057	0.0514	0.0514
Schistosoma mansoni	tubulin subunit beta	0.007	0.0828	0.0919
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.0514	0.057
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0145	0.2536	0.3499
Loa Loa (eye worm)	BEN-1 protein	0.007	0.0828	0.0828
Echinococcus multilocularis	tubulin beta 1 chain	0.007	0.0828	0.0543
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0125	0.2096	0.2738
Brugia malayi	G protein-coupled receptor	0.0057	0.0514	0.0514
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0078	0.1	0.0822
Schistosoma mansoni	inhibitor of apoptosis protein	0.0093	0.1345	0.1494
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0125	0.2096	0.2096
Onchocerca volvulus		0.0057	0.0514	0.3819
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0057	0.0514	0.057
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0161	0.2923	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0057	0.0514	0.057
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0057	0.0514	0.0514
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	G protein-coupled receptor F59B2.13	0.0057	0.0514	0.0514
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0161	0.2923	1
Plasmodium falciparum	plasmepsin VI	0.0145	0.2536	0.8674
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0161	0.2923	0.2923
Schistosoma mansoni	neuropeptide receptor	0.0057	0.0514	0.057
Echinococcus multilocularis	beta tubulin	0.007	0.0828	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0093	0.1345	0.1494
Trypanosoma brucei	proteasome beta 6 subunit	0.0125	0.2096	0.6052
Onchocerca volvulus		0.0057	0.0514	0.3819
Brugia malayi	Dopamine receptor protein 2	0.0057	0.0514	0.0514
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0078	0.1	0.3421
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Echinococcus granulosus	tubulin beta 4A class IVa	0.007	0.0828	0.0543
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0145	0.2536	0.815
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0057	0.0514	0.057
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0057	0.0514	0.0514
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0308	0.6293	1
Toxoplasma gondii	aspartyl protease ASP1	0.0145	0.2536	0.8674
Schistosoma mansoni	growth hormone secretagogue receptor	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Echinococcus granulosus	Tubulin beta 2C chain	0.007	0.0828	0.0543
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0078	0.1	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1345	0.1345
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0145	0.2536	0.8674
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0161	0.2923	0.3246
Brugia malayi	G-protein coupled receptor	0.0057	0.0514	0.0514
Mycobacterium ulcerans	proteasome PrcB	0.0161	0.2923	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0057	0.0514	0.057
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0125	0.2096	0.2738
Echinococcus granulosus	Tubulin beta 2C chain	0.007	0.0828	0.0543
Schistosoma mansoni	tubulin subunit beta	0.007	0.0828	0.0919
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0161	0.2923	1
Brugia malayi	Serotonin receptor	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Echinococcus multilocularis	Tubulin beta 2C chain	0.007	0.0828	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0057	0.0514	0.0514
Echinococcus granulosus	proteasome prosome macropain	0.0161	0.2923	0.4169
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0093	0.1345	0.1439
Onchocerca volvulus		0.0057	0.0514	0.3819
Loa Loa (eye worm)	hypothetical protein	0.047	1	1
Echinococcus granulosus	beta tubulin	0.007	0.0828	0.0543
Loa Loa (eye worm)	tubulin beta-4 chain	0.007	0.0828	0.0828
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0078	0.1	0.111
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0078	0.1	0.0822
Schistosoma mansoni	biogenic amine receptor	0.0057	0.0514	0.057
Brugia malayi	Tubulin beta-1 chain	0.007	0.0828	0.0828
Schistosoma mansoni	hypothetical protein	0.0057	0.0514	0.057
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0514	0.0514
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0057	0.0514	0.0514

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 1.5 mg kg-1	Compound was evaluated in vivo for inhibition of dyspnea induced by a 5 min aerosol of ovalbumin in 6 hyperreactive rats for each of three doses	ChEMBL.	1331447
Effective dose (functional)	= 5 mg kg-1	Compound was evaluated in vivo for its effective dose against bronchoconstriction induced by LTD4 (0.2 ug/kg,iv) in anesthetized guinea pigs followed by id administration	ChEMBL.	1331447
IC50 (functional)	= 270 nM	In vitro inhibition of [3H]-LTD4 binding to guinea pig lung membranes.	ChEMBL.	1331447
IC50 (functional)	= 270 nM	In vitro inhibition of [3H]-LTD4 binding to guinea pig lung membranes.	ChEMBL.	1331447
Inhibition (functional)	= 40 %	Compound was evaluated in vivo for inhibition of dyspnea induced by a 5 min aerosol of ovalbumin in 6 hyperreactive rats at dose of 1.5 mg/Kg	ChEMBL.	1331447

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

ChEMBL: CHEMBL125799

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 220319