TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.578 | Formula: C22H39N5O
H donors: 1 H acceptors: 4 LogP: 2.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCNC1CCC2C(C1)C1CCNC3C1C(N2)C(=O)C1C3NCCC1)C
InChi: 1S/C22H19N5O/c1-27(2)11-10-23-13-5-6-17-16(12-13)14-7-9-25-20-18(14)21(26-17)22(28)15-4-3-8-24-19(15)20/h3-9,12,23H,10-11H2,1-2H3
InChiKey: QJOCISBWQLZIJK-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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
Onchocerca volvulus	Peroxidasin homolog	0.0299	0.8164	0.8137
Schistosoma mansoni	hypothetical protein	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Giardia lamblia	High cysteine protein	0.0097	0.1983	0.3594
Echinococcus multilocularis	neuropeptide receptor A26	0.008	0.1473	0.1444
Echinococcus granulosus	G protein coupled receptor 139	0.008	0.1473	0.1444
Onchocerca volvulus		0.008	0.1473	0.135
Echinococcus granulosus	neuropeptides capa receptor	0.008	0.1473	0.1444
Echinococcus multilocularis	neuropeptides capa receptor	0.008	0.1473	0.1444
Onchocerca volvulus		0.008	0.1473	0.135
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.008	0.1473	0.1444
Onchocerca volvulus		0.008	0.1473	0.135
Mycobacterium ulcerans	hypothetical protein	0.0104	0.2191	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.008	0.1473	0.135
Loa Loa (eye worm)	G-protein coupled receptor	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	RE15519p	0.008	0.1473	0.1561
Loa Loa (eye worm)	G-protein coupled receptor	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Loa Loa (eye worm)	jmjC domain-containing protein	0.0091	0.182	0.1933
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0045	0.0415	0.0092
Brugia malayi	AKH receptor	0.008	0.1473	0.1561
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus granulosus	protein jagged 1	0.0097	0.1983	0.2096
Brugia malayi	G-protein coupled receptor	0.008	0.1473	0.1561
Echinococcus granulosus	g protein coupled receptor	0.008	0.1473	0.1444
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0038	0.0179	0.0044
Brugia malayi	Animal haem peroxidase family protein	0.0299	0.8164	0.9408
Schistosoma mansoni	notch	0.0097	0.1983	0.2295
Schistosoma mansoni	amine GPCR	0.008	0.1473	0.1659
Schistosoma mansoni	notch	0.0097	0.1983	0.2295
Onchocerca volvulus	Peroxidasin homolog	0.0299	0.8164	0.8137
Echinococcus granulosus	biogenic amine 5HT receptor	0.008	0.1473	0.1444
Echinococcus multilocularis	peroxidasin	0.0299	0.8164	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.008	0.1473	0.1444
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.008	0.1473	0.1659
Brugia malayi	larval opioid receptor	0.008	0.1473	0.1561
Brugia malayi	Blistered cuticle protein 3	0.0299	0.8164	0.9408
Echinococcus multilocularis	neuropeptide receptor	0.008	0.1473	0.1444
Schistosoma mansoni	amine GPCR	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0045	0.0415	0.2093
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus granulosus	neuropeptides capa receptor	0.008	0.1473	0.1444
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Schistosoma mansoni	notch	0.0097	0.1983	0.2295
Brugia malayi	Pre-SET motif family protein	0.0045	0.0415	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Brugia malayi	neuropeptide F receptor	0.008	0.1473	0.1561
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0044	0.0383	0.005
Schistosoma mansoni	opsin-like receptor	0.008	0.1473	0.1659
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0043	0.0343	0.0194
Onchocerca volvulus		0.0097	0.1983	0.1868
Echinococcus multilocularis	g protein coupled receptor	0.008	0.1473	0.1444
Echinococcus granulosus	biogenic amine 5HT receptor	0.008	0.1473	0.1444
Schistosoma mansoni	neuropeptide receptor	0.008	0.1473	0.1659
Echinococcus granulosus	7tm_1 domain containing protein	0.008	0.1473	0.1444
Echinococcus granulosus	tm gpcr rhodopsin	0.008	0.1473	0.1444
Schistosoma mansoni	neuropeptide F-like receptor	0.008	0.1473	0.1659
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0044	0.0364	0.0026
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Onchocerca volvulus		0.008	0.1473	0.135
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.008	0.1473	0.1444
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Echinococcus multilocularis	protein jagged 1	0.0097	0.1983	0.2096
Brugia malayi	hypothetical protein	0.0178	0.4468	0.5073
Echinococcus granulosus	allatostatin A receptor	0.008	0.1473	0.1444
Schistosoma mansoni	myosin xvIII	0.008	0.1473	0.1659
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.008	0.1473	0.135
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus granulosus	dro:myosuppressin receptor	0.008	0.1473	0.1444
Schistosoma mansoni	hypothetical protein	0.008	0.1473	0.1659
Onchocerca volvulus		0.008	0.1473	0.135
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4468	0.5052
Onchocerca volvulus	Peroxidase homolog	0.0299	0.8164	0.8137
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.008	0.1473	0.1444
Loa Loa (eye worm)	animal heme peroxidase	0.0299	0.8164	0.9405
Brugia malayi	Animal haem peroxidase family protein	0.0299	0.8164	0.9408
Brugia malayi	ORL1-like opioid receptor	0.008	0.1473	0.1561
Echinococcus granulosus	fmrfamide receptor	0.008	0.1473	0.1444
Onchocerca volvulus		0.0299	0.8164	0.8137
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0183	0.4621	0.547
Brugia malayi	Animal haem peroxidase family protein	0.0299	0.8164	0.9408
Onchocerca volvulus		0.008	0.1473	0.135
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0415	0.0278
Echinococcus granulosus	histone lysine methyltransferase setb	0.0045	0.0415	0.0092
Plasmodium falciparum	phd finger protein, putative	0.0044	0.0383	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0043	0.0343	0.057
Onchocerca volvulus		0.008	0.1473	0.135
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0043	0.0343	0.057
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0197	0.5029	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	G-protein coupled receptor	0.008	0.1473	0.1561
Echinococcus granulosus	slit 2 protein	0.0097	0.1983	0.2096
Brugia malayi	Animal haem peroxidase family protein	0.0299	0.8164	0.9408
Echinococcus granulosus	alpha 1A adrenergic receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus granulosus	PHD finger protein rhinoceros	0.0044	0.0383	0.005
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.008	0.1473	0.1444
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus multilocularis	neurogenic locus notch protein	0.0097	0.1983	0.2096
Schistosoma mansoni	amine GPCR	0.008	0.1473	0.1659
Echinococcus granulosus	neuropeptide s receptor	0.008	0.1473	0.1444
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Echinococcus multilocularis	G protein coupled receptor 139	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Echinococcus granulosus	protein jagged 2	0.0097	0.1983	0.2096
Echinococcus multilocularis	neurogenic locus protein delta	0.0097	0.1983	0.2096
Schistosoma mansoni	amine GPCR	0.008	0.1473	0.1659
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	Pre-SET motif family protein	0.0316	0.8669	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.008	0.1473	0.1444
Onchocerca volvulus		0.008	0.1473	0.135
Brugia malayi	G protein-coupled receptor	0.008	0.1473	0.1561
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0045	0.0415	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0043	0.0343	0.0237
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.008	0.1473	0.1561
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Onchocerca volvulus		0.0299	0.8164	0.8137
Schistosoma mansoni	cell polarity protein	0.0097	0.1983	0.2295
Brugia malayi	putative neuropeptide receptor NPR1	0.008	0.1473	0.1561
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.008	0.1473	0.1659
Brugia malayi	Dopamine receptor	0.008	0.1473	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Brugia malayi	Melatonin receptor type 1A	0.008	0.1473	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.008	0.1473	0.1524
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Echinococcus multilocularis	neuropeptide receptor	0.008	0.1473	0.1444
Echinococcus multilocularis	neural cadherin	0.0097	0.1983	0.2096
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Echinococcus granulosus	jumonji domain containing protein	0.0062	0.0911	0.0726
Brugia malayi	Peroxidasin	0.0299	0.8164	0.9408
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Brugia malayi	Delta serrate ligand family protein	0.0097	0.1983	0.2159
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.008	0.1473	0.1444
Echinococcus granulosus	neuropeptide Y receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	neuropeptide receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Loa Loa (eye worm)	TYRA-2 protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Brugia malayi	Cadherin domain containing protein	0.0097	0.1983	0.2159
Onchocerca volvulus		0.008	0.1473	0.135
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.008	0.1473	0.1561
Echinococcus granulosus	lysine specific demethylase 5A	0.0092	0.1834	0.1906
Onchocerca volvulus		0.008	0.1473	0.135
Echinococcus multilocularis	serotonin receptor	0.008	0.1473	0.1444
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.0415	0.0341
Echinococcus multilocularis	neuropeptide FF receptor 2	0.008	0.1473	0.1444
Echinococcus multilocularis	fibropellin Ia	0.0097	0.1983	0.2096
Echinococcus multilocularis	serotonin receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	neuropeptide F receptor	0.008	0.1473	0.1524
Onchocerca volvulus	Neurogenic locus notch homolog	0.0097	0.1983	0.1868
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0093	0.1871	0.3643
Brugia malayi	G protein-coupled receptor F59B2.13	0.008	0.1473	0.1561
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Onchocerca volvulus		0.008	0.1473	0.135
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0197	0.5029	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.008	0.1473	0.1444
Onchocerca volvulus	Alhambra homolog	0.0044	0.0383	0.0245
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus granulosus	neuropeptide Y receptor	0.008	0.1473	0.1444
Echinococcus multilocularis	g protein coupled receptor	0.008	0.1473	0.1444
Echinococcus granulosus	neurogenic locus notch protein	0.0097	0.1983	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0043	0.0343	0.0252
Schistosoma mansoni	hypothetical protein	0.008	0.1473	0.1659
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Loa Loa (eye worm)	Notch2	0.0097	0.1983	0.2125
Schistosoma mansoni	notch	0.0097	0.1983	0.2295
Echinococcus multilocularis	allatostatin A receptor	0.008	0.1473	0.1444
Schistosoma mansoni	amine GPCR	0.008	0.1473	0.1659
Echinococcus multilocularis	neuropeptides capa receptor	0.008	0.1473	0.1444
Echinococcus granulosus	neuropeptide receptor	0.008	0.1473	0.1444
Schistosoma mansoni	biogenic amine (5HT) receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Brugia malayi	notch-like transmembrane receptor	0.0097	0.1983	0.2159
Schistosoma mansoni	peroxidasin	0.0299	0.8164	1
Brugia malayi	Animal haem peroxidase family protein	0.0299	0.8164	0.9408
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Echinococcus granulosus	neurogenic locus notch protein	0.0097	0.1983	0.2096
Echinococcus granulosus	somatostatin receptor	0.008	0.1473	0.1444
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0092	0.1834	0.211
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0093	0.1871	0.3259
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.008	0.1473	0.1659
Schistosoma mansoni	hypothetical protein	0.0044	0.0383	0.0301
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0044	0.0383	0.0301
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0097	0.1983	0.2295
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Onchocerca volvulus		0.0097	0.1983	0.1868
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Echinococcus granulosus	neural cadherin	0.0097	0.1983	0.2096
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Toxoplasma gondii	PHD-finger domain-containing protein	0.0044	0.0383	0.193
Onchocerca volvulus		0.008	0.1473	0.135
Treponema pallidum	fructose-bisphosphate aldolase	0.019	0.4835	0.5
Echinococcus granulosus	neuropeptide receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus multilocularis	neurogenic locus protein delta	0.0097	0.1983	0.2096
Schistosoma mansoni	biogenic amine receptor	0.008	0.1473	0.1659
Onchocerca volvulus	Putative cubilin	0.0097	0.1983	0.1868
Brugia malayi	neuropeptide F receptor	0.008	0.1473	0.1561
Echinococcus granulosus	neuropeptide FF receptor 2	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Loa Loa (eye worm)	animal heme peroxidase	0.0299	0.8164	0.9405
Brugia malayi	Serotonin receptor	0.008	0.1473	0.1561
Brugia malayi	jmjC domain containing protein	0.0092	0.1834	0.1985
Brugia malayi	Dopamine receptor protein 2	0.008	0.1473	0.1561
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.008	0.1473	0.1561
Brugia malayi	jmjC domain containing protein	0.0183	0.4621	0.5254
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Onchocerca volvulus		0.0097	0.1983	0.1868
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.008	0.1473	0.1444
Echinococcus granulosus	peptide allatostatin:somatostatin	0.008	0.1473	0.1444
Loa Loa (eye worm)	animal heme peroxidase	0.0299	0.8164	0.9405
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Loa Loa (eye worm)	melatonin receptor type 1A	0.008	0.1473	0.1524
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Echinococcus multilocularis	orexin receptor type 2	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0383	0.024
Leishmania major	mitochondrial DNA polymerase beta	0.0197	0.5029	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus multilocularis	protein jagged 1	0.0097	0.1983	0.2096
Schistosoma mansoni	adenoreceptor	0.008	0.1473	0.1659
Echinococcus granulosus	serotonin receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	neuropeptide F receptor	0.008	0.1473	0.1524
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Schistosoma mansoni	biogenic amine receptor	0.008	0.1473	0.1659
Echinococcus granulosus	tm gpcr rhodopsin	0.008	0.1473	0.1444
Echinococcus granulosus	fibropellin Ia	0.0097	0.1983	0.2096
Echinococcus granulosus	neurogenic locus protein delta	0.0097	0.1983	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.008	0.1473	0.1524
Echinococcus granulosus	tm gpcr rhodopsin	0.008	0.1473	0.1444
Echinococcus multilocularis	fmrfamide receptor	0.008	0.1473	0.1444
Echinococcus multilocularis	neuropeptide Y receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	Dopamine receptor protein 1	0.008	0.1473	0.1561
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0097	0.1983	0.2159
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Onchocerca volvulus		0.008	0.1473	0.135
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Schistosoma mansoni	hypothetical protein	0.008	0.1473	0.1659
Schistosoma mansoni	notch	0.0097	0.1983	0.2295
Echinococcus granulosus	orexin receptor type 2	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1658	0.1743
Echinococcus multilocularis	protein jagged 2	0.0097	0.1983	0.2096
Echinococcus granulosus	tachykinin peptides receptor 99D	0.008	0.1473	0.1444
Onchocerca volvulus	Peroxidase homolog	0.0299	0.8164	0.8137
Schistosoma mansoni	septate junction protein	0.0097	0.1983	0.2295
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Loa Loa (eye worm)	blistered cuticle protein 3	0.0299	0.8164	0.9405
Schistosoma mansoni	notch	0.0097	0.1983	0.2295
Echinococcus granulosus	neurogenic locus notch protein 4	0.0097	0.1983	0.2096
Echinococcus granulosus	hypothetical protein	0.008	0.1473	0.1444
Echinococcus granulosus	protein jagged 1	0.0097	0.1983	0.2096
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.008	0.1473	0.1444
Echinococcus granulosus	g-protein coupled receptor	0.008	0.1473	0.1444
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Loa Loa (eye worm)	notch protein	0.0097	0.1983	0.2125
Echinococcus multilocularis	sex peptide receptor	0.008	0.1473	0.1444
Onchocerca volvulus		0.0299	0.8164	0.8137
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.008	0.1473	0.1444
Schistosoma mansoni	laminin gamma-3 chain	0.0097	0.1983	0.2295
Schistosoma mansoni	alpha-1 adrenergic receptor	0.008	0.1473	0.1659
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0316	0.8669	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0097	0.1983	0.2096
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0093	0.1867	0.5
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Echinococcus granulosus	g protein coupled receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Echinococcus multilocularis	g-protein coupled receptor	0.008	0.1473	0.1444
Onchocerca volvulus	Chorion peroxidase homolog	0.0299	0.8164	0.8137
Onchocerca volvulus		0.0045	0.0415	0.0277
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0104	0.2191	1
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Onchocerca volvulus	Slit protein homolog	0.0097	0.1983	0.1868
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0183	0.4621	0.547
Echinococcus multilocularis	lysine specific demethylase 5A	0.0092	0.1834	0.1906
Echinococcus multilocularis	survival motor neuron protein 1	0.0178	0.4468	0.5274
Brugia malayi	Calcium binding EGF domain containing protein	0.0097	0.1983	0.2159
Schistosoma mansoni	slit	0.0097	0.1983	0.2295
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.008	0.1473	0.1524
Schistosoma mansoni	growth hormone secretagogue receptor	0.008	0.1473	0.1659
Toxoplasma gondii	EGF family domain-containing protein	0.0097	0.1983	1
Echinococcus multilocularis	jumonji domain containing protein	0.0062	0.0911	0.0726
Schistosoma mansoni	neuropeptide receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Plasmodium vivax	SET domain protein, putative	0.0045	0.0415	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.008	0.1473	0.1444
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0097	0.1983	0.1868
Schistosoma mansoni	histamine h1 receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.008	0.1473	0.1524
Echinococcus granulosus	peregrin	0.0044	0.0383	0.005
Echinococcus granulosus	g protein coupled receptor	0.008	0.1473	0.1444
Toxoplasma gondii	PHD-finger domain-containing protein	0.0044	0.0383	0.193
Brugia malayi	GnHR receptor homolog	0.008	0.1473	0.1561
Brugia malayi	Calcium binding EGF domain containing protein	0.0097	0.1983	0.2159
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Echinococcus multilocularis	g protein coupled receptor	0.008	0.1473	0.1444
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0038	0.0179	0.0044
Schistosoma mansoni	neuropeptide receptor	0.008	0.1473	0.1659
Echinococcus multilocularis	peregrin	0.0044	0.0383	0.005
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.008	0.1473	0.1659
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Onchocerca volvulus		0.008	0.1473	0.135
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Trichomonas vaginalis	set domain proteins, putative	0.036	1	1
Echinococcus multilocularis	slit 2 protein	0.0097	0.1983	0.2096
Schistosoma mansoni	jumonji domain containing protein	0.0153	0.3713	0.4452
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Echinococcus granulosus	protein jagged 2	0.0097	0.1983	0.2096
Echinococcus multilocularis	fmrfamide receptor	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Onchocerca volvulus		0.008	0.1473	0.135
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.008	0.1473	0.1561
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Schistosoma mansoni	biogenic amine (5HT) receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus granulosus	neuropeptide receptor A26	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Brugia malayi	follicle stimulating hormone receptor	0.008	0.1473	0.1561
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0092	0.1834	0.211
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.019	0.4835	1
Brugia malayi	hypothetical protein	0.0299	0.8164	0.9408
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Brugia malayi	Bromodomain containing protein	0.0044	0.0383	0.0283
Onchocerca volvulus		0.008	0.1473	0.135
Brugia malayi	sulfakinin receptor protein	0.008	0.1473	0.1561
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0093	0.1871	0.3259
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus multilocularis	G-protein coupled receptor, putative	0.008	0.1473	0.1444
Onchocerca volvulus	Dual oxidase homolog	0.0299	0.8164	0.8137
Brugia malayi	GCC2 and GCC3 family protein	0.0097	0.1983	0.2159
Echinococcus multilocularis	somatostatin receptor	0.008	0.1473	0.1444
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.008	0.1473	0.1444
Brugia malayi	Muscle positioning protein 4	0.0097	0.1983	0.2159
Brugia malayi	Tachykinin-like peptides receptor 99D	0.008	0.1473	0.1561
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.0415	0.0341
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.008	0.1473	0.1659
Schistosoma mansoni	neuropeptide f receptor 76f	0.008	0.1473	0.1659
Loa Loa (eye worm)	PHD-finger family protein	0.0044	0.0383	0.024
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.019	0.4835	1
Onchocerca volvulus		0.008	0.1473	0.135
Echinococcus granulosus	sex peptide receptor	0.008	0.1473	0.1444
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0045	0.0415	0.0341
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.008	0.1473	0.1444
Brugia malayi	Cadherin domain containing protein	0.0097	0.1983	0.2159
Echinococcus multilocularis	neuropeptide s receptor	0.008	0.1473	0.1444
Echinococcus multilocularis	neuropeptide Y receptor	0.008	0.1473	0.1444
Schistosoma mansoni	peroxidasin	0.0299	0.8164	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	Serotonin receptor	0.008	0.1473	0.1561
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0097	0.1983	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Brugia malayi	PHD-finger family protein	0.0044	0.0383	0.0283
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.008	0.1473	0.1444
Onchocerca volvulus		0.0097	0.1983	0.1868
Echinococcus granulosus	notch	0.0097	0.1983	0.2096
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Schistosoma mansoni	opsin-like receptor	0.008	0.1473	0.1659
Schistosoma mansoni	hypothetical protein	0.0097	0.1983	0.2295
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.1473	0.1659
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.0415	0.0341
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.008	0.1473	0.1444
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.008	0.1473	0.1444
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0197	0.5029	1
Schistosoma mansoni	neuropeptide F-like receptor	0.008	0.1473	0.1659
Echinococcus multilocularis	notch	0.0097	0.1983	0.2096
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.008	0.1473	0.1561
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.008	0.1473	0.1659
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.008	0.1473	0.1444
Echinococcus granulosus	delta-like protein 1	0.0097	0.1983	0.2096
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.1473	0.1444
Schistosoma mansoni	opsin-like receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Brugia malayi	EGF-like domain containing protein	0.0097	0.1983	0.2159
Echinococcus granulosus	peroxidasin	0.0299	0.8164	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Brugia malayi	putative neuropeptide receptor	0.008	0.1473	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0299	0.8164	0.9405
Loa Loa (eye worm)	animal heme peroxidase	0.0299	0.8164	0.9405
Loa Loa (eye worm)	jmjC domain-containing protein	0.0092	0.1834	0.195
Echinococcus granulosus	survival motor neuron protein 1	0.0178	0.4468	0.5274
Giardia lamblia	Fructose-bisphosphate aldolase	0.019	0.4835	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0097	0.1983	0.2096
Schistosoma mansoni	biogenic amine receptor	0.008	0.1473	0.1659
Brugia malayi	Calcium binding EGF domain containing protein	0.0097	0.1983	0.2159
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.008	0.1473	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.008	0.1473	0.1659
Brugia malayi	hypothetical protein	0.008	0.1473	0.1561
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1983	0.2125
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Loa Loa (eye worm)	hypothetical protein	0.008	0.1473	0.1524
Onchocerca volvulus		0.0097	0.1983	0.1868

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 10 nM	In vitro cytotoxicity against human bladder cell line T24.	ChEMBL.	12166949
IC50 (functional)	= 10 nM	In vitro cytotoxicity against human non small-cell-lung cell line A-427.	ChEMBL.	12166949
IC50 (functional)	= 10 nM	In vitro cytotoxicity against human bladder cell line T24.	ChEMBL.	12166949
IC50 (functional)	= 10 nM	In vitro cytotoxicity against human non small-cell-lung cell line A-427.	ChEMBL.	12166949
IC50 (functional)	= 30 nM	In vitro cytotoxicity against human glioblastomas cell line U87MG.	ChEMBL.	12166949
IC50 (functional)	= 30 nM	In vitro cytotoxicity against human breast cell line MCF-7.	ChEMBL.	12166949
IC50 (functional)	= 30 nM	In vitro cytotoxicity against human glioblastomas cell line U87MG.	ChEMBL.	12166949
IC50 (functional)	= 30 nM	In vitro cytotoxicity against human breast cell line MCF-7.	ChEMBL.	12166949
IC50 (functional)	= 70 nM	In vitro cytotoxicity against human glioblastomas cell line U-373MG.	ChEMBL.	12166949
IC50 (functional)	= 70 nM	In vitro cytotoxicity against human glioblastomas cell line U-373MG.	ChEMBL.	12166949
IC50 (functional)	= 80 nM	In vitro cytotoxicity against human colon cell line HCT-15.	ChEMBL.	12166949
IC50 (functional)	= 80 nM	In vitro cytotoxicity against human prostate cell line PC-3.	ChEMBL.	12166949
IC50 (functional)	= 80 nM	In vitro cytotoxicity against human colon cell line HCT-15.	ChEMBL.	12166949
IC50 (functional)	= 80 nM	In vitro cytotoxicity against human prostate cell line PC-3.	ChEMBL.	12166949
IC50 (functional)	= 90 nM	In vitro cytotoxicity against human bladder cell line J82.	ChEMBL.	12166949
IC50 (functional)	= 90 nM	In vitro cytotoxicity against human bladder cell line J82.	ChEMBL.	12166949
IC50 (functional)	= 400 nM	In vitro cytotoxicity against human non small-cell-lung cell line A549.	ChEMBL.	12166949
IC50 (functional)	= 400 nM	In vitro cytotoxicity against human non small-cell-lung cell line A549.	ChEMBL.	12166949
IC50 (functional)	= 500 nM	In vitro cytotoxicity against human glioblastomas cell line SW1088.	ChEMBL.	12166949
IC50 (functional)	= 2000 nM	In vitro cytotoxicity against human colon cell line LoVo.	ChEMBL.	12166949
IC50 (functional)	= 2000 nM	In vitro cytotoxicity against human breast cell line T-47D.	ChEMBL.	12166949
IC50 (functional)	= 2000 nM	In vitro cytotoxicity against human colon cell line LoVo.	ChEMBL.	12166949
IC50 (functional)	= 2000 nM	In vitro cytotoxicity against human breast cell line T-47D.	ChEMBL.	12166949
MTD (functional)	= 40 mg kg-1	Mean tolerated dose following single i.p. injection to B6D2F1/jico mice.	ChEMBL.	12166949

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12166949

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

PubChem: 9864123

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 214871