TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 511.61 | Formula: C28H37N3O6
H donors: 2 H acceptors: 5 LogP: 2.48 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: COCCN1C(=O)[C@H]([C@@H](C1=O)C)C(=O)[C@H](C(C)C)NC(=O)C[C@@H](c1ccccc1)NC(=O)/C=C/C=C/C
InChi: 1S/C28H37N3O6/c1-6-7-9-14-22(32)29-21(20-12-10-8-11-13-20)17-23(33)30-25(18(2)3)26(34)24-19(4)27(35)31(28(24)36)15-16-37-5/h6-14,18-19,21,24-25H,15-17H2,1-5H3,(H,29,32)(H,30,33)/b7-6+,14-9+/t19-,21-,24+,25-/m0/s1
InChiKey: MERFJBDAYULJIQ-YFXLDHLYSA-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

No curated genes were found associated with this compound

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Echinococcus multilocularis	neuropeptides capa receptor	0.0034	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0274	0.0145
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0038	0.0274	0.0274
Echinococcus multilocularis	cathepsin L cysteine protease	0.0052	0.086	0.086
Echinococcus granulosus	neuropeptide FF receptor 2	0.0034	0.013	0.013
Echinococcus multilocularis	neuropeptide Y receptor	0.0034	0.013	0.013
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0274	0.0274
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.086	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0052	0.086	1
Toxoplasma gondii	cathepsin B	0.0097	0.2688	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0274	0.1018
Echinococcus granulosus	fmrfamide receptor	0.0034	0.013	0.013
Schistosoma mansoni	hypothetical protein	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0034	0.013	0.013
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Brugia malayi	Cathepsin L-like precursor	0.0052	0.086	0.086
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Schistosoma mansoni	hypothetical protein	0.0034	0.013	0.013
Echinococcus multilocularis	sex peptide receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	hypothetical protein	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Brugia malayi	cathepsin L-like precursor	0.0038	0.0274	0.0274
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0034	0.013	0.013
Brugia malayi	putative neuropeptide receptor	0.0034	0.013	0.013
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0052	0.086	0.086
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0034	0.013	0.013
Schistosoma mansoni	opsin-like receptor	0.0034	0.013	0.013
Echinococcus multilocularis	G protein coupled receptor 139	0.0034	0.013	0.013
Echinococcus multilocularis	cysteine protease	0.0052	0.086	0.086
Schistosoma mansoni	hypothetical protein	0.0034	0.013	0.013
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Echinococcus granulosus	biogenic amine 5HT receptor	0.0034	0.013	0.013
Echinococcus granulosus	orexin receptor type 2	0.0034	0.013	0.013
Echinococcus multilocularis	cathepsin b	0.0279	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0274	0.1018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Echinococcus multilocularis	allatostatin A receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0052	0.086	0.3201
Brugia malayi	Cathepsin L-like precursor	0.0052	0.086	0.086
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Echinococcus granulosus	7tm_1 domain containing protein	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0034	0.013	0.013
Echinococcus granulosus	neuropeptide receptor	0.0034	0.013	0.013
Brugia malayi	AKH receptor	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Brugia malayi	G-protein coupled receptor	0.0034	0.013	0.013
Brugia malayi	Cathepsin L-like precursor	0.0052	0.086	0.086
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Schistosoma mansoni	neuropeptide receptor	0.0034	0.013	0.013
Echinococcus granulosus	cathepsin b	0.0279	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0034	0.013	0.013
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0034	0.013	0.013
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0034	0.013	0.013
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0034	0.013	0.013
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0034	0.013	0.013
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0034	0.013	0.013
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.086	0.086
Echinococcus multilocularis	somatostatin receptor	0.0034	0.013	0.013
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0034	0.013	0.013
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0052	0.086	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0052	0.086	0.086
Echinococcus granulosus	neuropeptide receptor A26	0.0034	0.013	0.013
Trypanosoma cruzi	cruzipain precursor, putative	0.0052	0.086	0.086
Onchocerca volvulus		0.0052	0.086	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0034	0.013	0.013
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0034	0.013	0.013
Brugia malayi	RE15519p	0.0034	0.013	0.013
Brugia malayi	ORL1-like opioid receptor	0.0034	0.013	0.013
Echinococcus multilocularis	neuropeptide Y receptor	0.0034	0.013	0.013
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0034	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0052	0.086	0.0739
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Brugia malayi	neuropeptide F receptor	0.0034	0.013	0.013
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0052	0.086	0.086
Echinococcus multilocularis	neuropeptide s receptor	0.0034	0.013	0.013
Loa Loa (eye worm)	fibroinase	0.0052	0.086	0.0739
Echinococcus granulosus	sex peptide receptor	0.0034	0.013	0.013
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0034	0.013	0.013
Echinococcus granulosus	cathepsin l1	0.0052	0.086	0.086
Echinococcus multilocularis	serotonin receptor	0.0034	0.013	0.013
Echinococcus granulosus	allatostatin A receptor	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Echinococcus multilocularis	neuropeptide receptor	0.0034	0.013	0.013
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0097	0.2688	0.2688
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0097	0.2688	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0034	0.013	0.013
Echinococcus multilocularis	serotonin receptor	0.0034	0.013	0.013
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0034	0.013	0.013
Schistosoma mansoni	neuropeptide receptor	0.0034	0.013	0.013
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0097	0.2688	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0034	0.013	0.013
Onchocerca volvulus		0.0052	0.086	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0034	0.013	0.013
Brugia malayi	Serotonin receptor	0.0034	0.013	0.013
Schistosoma mansoni	biogenic amine receptor	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0052	0.086	0.0739
Echinococcus multilocularis	g protein coupled receptor	0.0034	0.013	0.013
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0034	0.013	0.013
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.086	0.086
Brugia malayi	Cathepsin L-like precursor	0.0052	0.086	0.086
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0097	0.2688	0.2688
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	opsin-like receptor	0.0034	0.013	0.013
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0034	0.013	0.013
Echinococcus granulosus	somatostatin receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0279	1	1
Schistosoma mansoni	neuropeptide receptor	0.0034	0.013	0.013
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.086	0.086
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	neuropeptide F-like receptor	0.0034	0.013	0.013
Echinococcus multilocularis	cysteine protease	0.0052	0.086	0.086
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0034	0.013	0.013
Echinococcus multilocularis	g protein coupled receptor	0.0034	0.013	0.013
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0034	0.013	0.013
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0274	0.0274
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.086	0.086
Echinococcus granulosus	tm gpcr rhodopsin	0.0034	0.013	0.013
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0034	0.013	0.013
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0034	0.013	0.013
Echinococcus granulosus	g protein coupled receptor	0.0034	0.013	0.013
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0279	1	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0034	0.013	0.013
Onchocerca volvulus		0.0052	0.086	1
Echinococcus granulosus	neuropeptide Y receptor	0.0034	0.013	0.013
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0034	0.013	0.013
Onchocerca volvulus		0.0052	0.086	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.086	0.086
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Echinococcus granulosus	tm gpcr rhodopsin	0.0034	0.013	0.013
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.086	0.0739
Schistosoma mansoni	amine GPCR	0.0034	0.013	0.013
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.086	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0034	0.013	0.013
Plasmodium vivax	vivapain-2	0.0052	0.086	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0034	0.013	0.013
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0274	0.0274
Schistosoma mansoni	amine GPCR	0.0034	0.013	0.013
Echinococcus granulosus	dro:myosuppressin receptor	0.0034	0.013	0.013
Echinococcus granulosus	g-protein coupled receptor	0.0034	0.013	0.013
Echinococcus multilocularis	neuropeptide receptor A26	0.0034	0.013	0.013
Echinococcus multilocularis	g protein coupled receptor	0.0034	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0274	0.0145
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Onchocerca volvulus		0.0038	0.0274	0.1963
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0274	0.0145
Echinococcus multilocularis	neuropeptides capa receptor	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Brugia malayi	larval opioid receptor	0.0034	0.013	0.013
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0034	0.013	0.013
Giardia lamblia	Cathepsin B precursor	0.0097	0.2688	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Echinococcus granulosus	cathepsin l1	0.0038	0.0274	0.0274
Echinococcus multilocularis	orexin receptor type 2	0.0034	0.013	0.013
Echinococcus granulosus	neuropeptide s receptor	0.0034	0.013	0.013
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Echinococcus granulosus	cathepsin b	0.0279	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0034	0.013	0.013
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0052	0.086	0.086
Schistosoma mansoni	biogenic amine receptor	0.0034	0.013	0.013
Brugia malayi	follicle stimulating hormone receptor	0.0034	0.013	0.013
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.086	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0034	0.013	0.013
Onchocerca volvulus		0.0052	0.086	1
Echinococcus granulosus	neuropeptides capa receptor	0.0034	0.013	0.013
Brugia malayi	Cathepsin L-like precursor	0.0052	0.086	0.086
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Giardia lamblia	Cathepsin B precursor	0.0097	0.2688	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0034	0.013	0.013
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Schistosoma mansoni	growth hormone secretagogue receptor	0.0034	0.013	0.013
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0034	0.013	0.013
Onchocerca volvulus	Cathepsin F homolog	0.0052	0.086	1
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0274	0.3182
Echinococcus granulosus	g protein coupled receptor	0.0034	0.013	0.013
Echinococcus granulosus	neuropeptides capa receptor	0.0034	0.013	0.013
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0279	1	1
Brugia malayi	Dopamine receptor protein 2	0.0034	0.013	0.013
Giardia lamblia	Cathepsin B precursor	0.0097	0.2688	0.5
Schistosoma mansoni	opsin-like receptor	0.0034	0.013	0.013
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0052	0.086	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0034	0.013	0.013
Echinococcus multilocularis	fmrfamide receptor	0.0034	0.013	0.013
Echinococcus granulosus	hypothetical protein	0.0034	0.013	0.013
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Brugia malayi	sulfakinin receptor protein	0.0034	0.013	0.013
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Schistosoma mansoni	histamine h1 receptor	0.0034	0.013	0.013
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0279	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Brugia malayi	GnHR receptor homolog	0.0034	0.013	0.013
Echinococcus granulosus	neuropeptide receptor	0.0034	0.013	0.013
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0034	0.013	0.013
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0279	1	1
Schistosoma mansoni	amine GPCR	0.0034	0.013	0.013
Loa Loa (eye worm)	cathepsin B	0.0097	0.2688	0.2591
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.086	1
Schistosoma mansoni	biogenic amine receptor	0.0034	0.013	0.013
Onchocerca volvulus		0.0052	0.086	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0034	0.013	0.013
Onchocerca volvulus		0.0052	0.086	1
Echinococcus multilocularis	neuropeptide receptor	0.0034	0.013	0.013
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.086	1
Echinococcus granulosus	serotonin receptor	0.0034	0.013	0.013
Brugia malayi	G protein-coupled receptor	0.0034	0.013	0.013
Echinococcus granulosus	7TM GPCR rhodopsin	0.0034	0.013	0.013
Echinococcus granulosus	tm gpcr rhodopsin	0.0034	0.013	0.013
Echinococcus granulosus	g protein coupled receptor	0.0034	0.013	0.013
Entamoeba histolytica	cysteine protease, putative	0.0052	0.086	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Echinococcus granulosus	neuropeptide Y receptor	0.0034	0.013	0.013
Schistosoma mansoni	myosin xvIII	0.0034	0.013	0.013
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0052	0.086	0.086
Brugia malayi	Cathepsin L-like precursor	0.0052	0.086	0.086
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0279	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0038	0.0274	0.0274
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Loa Loa (eye worm)	ctsf protein	0.0052	0.086	0.0739
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	neuropeptide F-like receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Schistosoma mansoni	neuropeptide receptor	0.0034	0.013	0.013
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0034	0.013	0.013
Brugia malayi	Serotonin receptor	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.086	0.3201
Brugia malayi	Dopamine receptor	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Plasmodium vivax	vivapain-2	0.0052	0.086	1
Loa Loa (eye worm)	cysteine protease	0.0052	0.086	0.0739
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0034	0.013	0.013
Brugia malayi	Dopamine receptor protein 1	0.0034	0.013	0.013
Schistosoma mansoni	amine GPCR	0.0034	0.013	0.013
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0034	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0097	0.2688	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0034	0.013	0.013
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0034	0.013	0.013
Brugia malayi	neuropeptide F receptor	0.0034	0.013	0.013
Brugia malayi	hypothetical protein	0.0034	0.013	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.086	0.3201
Echinococcus multilocularis	cathepsin b	0.0279	1	1
Schistosoma mansoni	adenoreceptor	0.0034	0.013	0.013
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0034	0.013	0.013
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0034	0.013	0.013
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0034	0.013	0.013
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.086	0.086
Echinococcus granulosus	G protein coupled receptor 139	0.0034	0.013	0.013
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Brugia malayi	G-protein coupled receptor	0.0034	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0034	0.013	0.013
Echinococcus multilocularis	g-protein coupled receptor	0.0034	0.013	0.013
Echinococcus multilocularis	fmrfamide receptor	0.0034	0.013	0.013
Schistosoma mansoni	amine GPCR	0.0034	0.013	0.013
Echinococcus granulosus	rhodopsin orphan GPCR	0.0034	0.013	0.013
Brugia malayi	Melatonin receptor type 1A	0.0034	0.013	0.013

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 150 nM	Inhibitory concentration of thecompound against Escherichia coliwas determined	ChEMBL.	15686939
IC50 (functional)	= 150 nM	Inhibitory concentration of thecompound against Escherichia coliwas determined	ChEMBL.	15686939
IC50 (functional)	= 1303 nM	Inhibitory concentration of thecompound against Staphylococcusaureus was determined	ChEMBL.	15686939
MIC (functional)	> 64 ug ml-1	Minimum inhibitory concentrationof the compound againstEscherichia coli HN818 strain wasdetermined	ChEMBL.	15686939
MIC (functional)	> 64 ug ml-1	Minimum inhibitory concentrationof the compound againstEscherichia coli Neumann strainwas determined	ChEMBL.	15686939
MIC (functional)	= 64 ug ml-1	Minimum inhibitory concentrationof the compound againstStaphylococcus aureus 133 strainwas determined	ChEMBL.	15686939
MIC (functional)	= 64 ug ml-1	Minimum inhibitory concentration of the compound against Streptococcus pneumoniae G9A strain was determined	ChEMBL.	15686939
MIC (functional)	> 64 ug ml-1	Minimum inhibitory concentrationof the compound againstEscherichia coli HN818 strain wasdetermined	ChEMBL.	15686939
MIC (functional)	> 64 ug ml-1	Minimum inhibitory concentrationof the compound againstEscherichia coli Neumann strainwas determined	ChEMBL.	15686939

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Escherichia coli	ChEMBL23	15686939

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: CHEMBL181014

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 316201