TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 862.766 | Formula: C44H57BF2N6O9
H donors: 5 H acceptors: 6 LogP: 4.04 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@H]1C[C@H](C)CC2=C(NCCNC(=O)CCC3=N/C(=C\c4c(C)cc(n4B(F)F)C)/C=C3)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@@H]1O)C)/C)OC(=O)N)OC)/C
InChi: 1S/C44H57BF2N6O9/c1-24-18-32-39(50-17-16-49-38(55)15-14-30-12-13-31(51-30)22-34-26(3)21-29(6)53(34)45(46)47)35(54)23-33(41(32)57)52-43(58)25(2)10-9-11-36(60-7)42(62-44(48)59)28(5)20-27(4)40(56)37(19-24)61-8/h9-13,20-24,27,36-37,40,42,50,56H,14-19H2,1-8H3,(H2,48,59)(H,49,55)(H,52,58)/b11-9-,25-10+,28-20+,31-22-/t24-,27+,36+,37+,40+,42+/m1/s1
InChiKey: KBOOUZYJWXLOCT-CFXBIRPOSA-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
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0061	0.1307	0.1307
Schistosoma mansoni	hypothetical protein	0.0061	0.1307	0.1157
Echinococcus multilocularis	fmrfamide receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Onchocerca volvulus		0.0061	0.1307	0.2307
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.012	0.2779	0.3652
Brugia malayi	putative neuropeptide receptor NPR1	0.0061	0.1307	0.1876
Loa Loa (eye worm)	transcription factor SMAD2	0.0063	0.1364	0.2188
Echinococcus granulosus	neuropeptide s receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	muscleblind protein	0.0149	0.3511	0.3511
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.107	0.1259
Echinococcus granulosus	G protein coupled receptor 139	0.0061	0.1307	0.1307
Echinococcus multilocularis	G protein coupled receptor 139	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus multilocularis	phd:f box containing protein	0.0016	0.017	0.017
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0061	0.1307	0.2307
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0061	0.1307	0.1157
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Echinococcus granulosus	neuropeptide receptor	0.0061	0.1307	0.1307
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0061	0.1307	0.1876
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Echinococcus granulosus	sex peptide receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0061	0.1307	0.1157
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0061	0.1307	0.1307
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.1248	0.1248
Echinococcus granulosus	g protein coupled receptor	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus granulosus	neuropeptides capa receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	hypothetical protein	0.0061	0.1307	0.1307
Schistosoma mansoni	hypothetical protein	0.0016	0.0177	0.0007
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0061	0.1307	0.1307
Brugia malayi	RNA recognition motif domain containing protein	0.0034	0.0619	0.0741
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.1248	0.1248
Brugia malayi	Fli-1 protein	0.0116	0.2698	0.4171
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0061	0.1307	0.1157
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0177	0.0012
Giardia lamblia	Rrm3p helicase	0.012	0.2779	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Schistosoma mansoni	opsin-like receptor	0.0061	0.1307	0.1157
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Schistosoma mansoni	hypothetical protein	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0235	0.5688	0.9126
Brugia malayi	Muscleblind-like protein	0.0149	0.3511	0.5512
Brugia malayi	G-protein coupled receptor	0.0061	0.1307	0.1876
Brugia malayi	Dopamine receptor protein 2	0.0061	0.1307	0.1876
Brugia malayi	jmjC domain containing protein	0.0059	0.1248	0.1778
Schistosoma mansoni	biogenic amine receptor	0.0061	0.1307	0.1157
Brugia malayi	G protein-coupled receptor F59B2.13	0.0061	0.1307	0.1876
Loa Loa (eye worm)	G-protein coupled receptor	0.0061	0.1307	0.2098
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.012	0.2779	0.3652
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0061	0.1307	0.1307
Brugia malayi	Ets-domain containing protein	0.0038	0.074	0.094
Echinococcus multilocularis	neuropeptides capa receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	lysine specific demethylase 6a	0.0016	0.017	0.017
Schistosoma mansoni	adenoreceptor	0.0061	0.1307	0.1157
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0061	0.1307	0.2098
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.012	0.2779	0.2779
Loa Loa (eye worm)	G-protein coupled receptor	0.0061	0.1307	0.2098
Schistosoma mansoni	cpg binding protein	0.003	0.0537	0.0373
Schistosoma mansoni	cpg binding protein	0.003	0.0537	0.0373
Schistosoma mansoni	opsin-like receptor	0.0061	0.1307	0.1157
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0017	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0016	0.017	0.0273
Brugia malayi	ORL1-like opioid receptor	0.0061	0.1307	0.1876
Onchocerca volvulus		0.0061	0.1307	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0061	0.1307	0.1157
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.017	0.0273
Loa Loa (eye worm)	MH2 domain-containing protein	0.0063	0.1364	0.2188
Echinococcus multilocularis	somatostatin receptor	0.0061	0.1307	0.1307
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.0619	0.0457
Brugia malayi	TAR-binding protein	0.0034	0.0619	0.0741
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.5688	0.5688
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	serotonin receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0061	0.1307	0.1307
Onchocerca volvulus	Glucosylceramidase homolog	0.0169	0.4013	1
Onchocerca volvulus		0.0061	0.1307	0.2307
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.1307	0.1157
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Brugia malayi	jmjC domain containing protein	0.006	0.1289	0.1846
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.017	0.0273
Echinococcus multilocularis	neuropeptide receptor A26	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	neuropeptide Y receptor	0.0061	0.1307	0.1307
Schistosoma mansoni	hypothetical protein	0.0016	0.0177	0.0007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Schistosoma mansoni	amine GPCR	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.012	0.2779	0.3652
Brugia malayi	larval opioid receptor	0.0061	0.1307	0.1876
Brugia malayi	RE15519p	0.0061	0.1307	0.1876
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0061	0.1307	0.1307
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	JmjC domain containing protein 4	0.0016	0.017	0.017
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0061	0.1307	0.1307
Echinococcus multilocularis	allatostatin A receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	7TM GPCR rhodopsin	0.0061	0.1307	0.1307
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0061	0.1307	0.1876
Loa Loa (eye worm)	neuropeptide F receptor	0.0061	0.1307	0.2098
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0061	0.1307	0.1157
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0177	0.0177
Schistosoma mansoni	amine GPCR	0.0061	0.1307	0.1157
Brugia malayi	neuropeptide F receptor	0.0061	0.1307	0.1876
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.6232	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.1307	0.1307
Schistosoma mansoni	amine GPCR	0.0061	0.1307	0.1157
Echinococcus granulosus	neuropeptide FF receptor 2	0.0061	0.1307	0.1307
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus multilocularis	g-protein coupled receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	neuropeptide Y receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0038	0.074	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	neuropeptide Y receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0016	0.017	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus granulosus	phd:f box containing protein	0.0016	0.017	0.017
Brugia malayi	neuropeptide F receptor	0.0061	0.1307	0.1876
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.13	0.115
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0061	0.1307	0.1876
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.3511	0.3511
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Echinococcus granulosus	neuropeptide receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	fmrfamide receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus granulosus	allatostatin A receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	dnaJ subfamily B	0.0407	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0061	0.1307	0.2098
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0061	0.1307	0.1876
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1039	0.1667
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.1307	0.1307
Schistosoma mansoni	hypothetical protein	0.012	0.2779	0.2655
Schistosoma mansoni	neuropeptide f receptor 76f	0.0061	0.1307	0.1157
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Onchocerca volvulus		0.0061	0.1307	0.2307
Leishmania major	mitochondrial DNA polymerase beta	0.03	0.7316	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0017	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Loa Loa (eye worm)	fli-1 protein	0.0116	0.2698	0.4329
Schistosoma mansoni	neuropeptide F-like receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	GA binding protein alpha chain	0.0038	0.074	0.074
Brugia malayi	Dopamine receptor	0.0061	0.1307	0.1876
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0496	0.0795
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.0619	0.0457
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.03	0.7316	1
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0061	0.1307	0.1307
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.012	0.2779	0.3652
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.3345	0.4444
Loa Loa (eye worm)	hypothetical protein	0.0016	0.017	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	neuropeptide receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	RNA binding protein	0.0034	0.0619	0.0994
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.017	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Onchocerca volvulus		0.0061	0.1307	0.2307
Schistosoma mansoni	histamine h1 receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	TYRA-2 protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0177	0.0284
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus granulosus	g protein coupled receptor	0.0061	0.1307	0.1307
Schistosoma mansoni	opsin-like receptor	0.0061	0.1307	0.1157
Schistosoma mansoni	amine GPCR	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0034	0.064	0.1027
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.1307	0.1307
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0061	0.1307	0.1157
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0838	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	myosin xvIII	0.0061	0.1307	0.1157
Echinococcus granulosus	muscleblind protein	0.0149	0.3511	0.3511
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0061	0.1307	0.1876
Brugia malayi	GnHR receptor homolog	0.0061	0.1307	0.1876
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.012	0.2779	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	neuropeptide receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0061	0.1307	0.2098
Echinococcus granulosus	lysine specific demethylase 6a	0.0016	0.017	0.017
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Echinococcus multilocularis	dro:myosuppressin receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0061	0.1307	0.1307
Schistosoma mansoni	neuropeptide receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	TAR-binding protein	0.0034	0.0619	0.0994
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1138	1
Echinococcus multilocularis	serotonin receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0177	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0034	0.0619	0.0994
Brugia malayi	Serotonin receptor	0.0061	0.1307	0.1876
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0061	0.1307	0.1157
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0061	0.1307	0.2307
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0257	0.6232	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0177	0.0012
Schistosoma mansoni	hypothetical protein	0.0061	0.1307	0.1157
Echinococcus multilocularis	orexin receptor type 2	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0061	0.1307	0.1307
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0061	0.1307	0.2098
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Echinococcus granulosus	dro:myosuppressin receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.5688	0.5688
Schistosoma mansoni	neuropeptide F-like receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.1307	0.1307
Schistosoma mansoni	hypothetical protein	0.0016	0.0177	0.0007
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.005	0.1039	0.1667
Echinococcus granulosus	g protein coupled receptor	0.0061	0.1307	0.1307
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0158	0.3748	0.5
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.4241	0.4232
Brugia malayi	Dopamine receptor protein 1	0.0061	0.1307	0.1876
Echinococcus multilocularis	neuropeptide receptor	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Brugia malayi	putative neuropeptide receptor	0.0061	0.1307	0.1876
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1039	0.1434
Schistosoma mansoni	amine GPCR	0.0061	0.1307	0.1157
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0496	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Plasmodium vivax	JmjC domain containing protein	0.0016	0.017	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0838	0.0935
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.1248	0.1248
Brugia malayi	follicle stimulating hormone receptor	0.0061	0.1307	0.1876
Echinococcus granulosus	JmjC domain containing protein 4	0.0016	0.017	0.017
Brugia malayi	RNA binding protein	0.0034	0.0619	0.0741
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0061	0.1307	0.1157
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus granulosus	biogenic amine 5HT receptor	0.0061	0.1307	0.1307
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.0619	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0061	0.1307	0.1157
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.0619	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.1289	0.1138
Schistosoma mansoni	hypothetical protein	0.0061	0.1307	0.1157
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.0619	0.0457
Echinococcus multilocularis	neuropeptide receptor	0.0061	0.1307	0.1307
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.3345	0.4444
Schistosoma mansoni	hypothetical protein	0.0048	0.0983	0.0827
Schistosoma mansoni	biogenic amine receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.1307	0.1307
Brugia malayi	hypothetical protein	0.0235	0.5688	0.9102
Schistosoma mansoni	ets-related	0.0116	0.2698	0.2572
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0061	0.1307	0.1157
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.03	0.7316	1
Echinococcus granulosus	orexin receptor type 2	0.0061	0.1307	0.1307
Echinococcus granulosus	GPCR family 2	0.0016	0.0177	0.0177
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.6232	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0061	0.1307	0.1157
Echinococcus granulosus	neuropeptide receptor A26	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.012	0.2779	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0177	0.0177
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0016	0.017	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0061	0.1307	0.1307
Echinococcus multilocularis	neuropeptides capa receptor	0.0061	0.1307	0.1307
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0061	0.1307	0.1307
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0838	0.0935
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	biogenic amine 5HT receptor	0.0061	0.1307	0.1307
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.6232	1
Schistosoma mansoni	neuropeptide receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.4241	0.4232
Echinococcus multilocularis	jumonji domain containing 1A	0.0016	0.017	0.017
Echinococcus granulosus	GA binding protein alpha chain	0.0038	0.074	0.074
Echinococcus granulosus	jumonji domain containing 1A	0.0016	0.017	0.017
Schistosoma mansoni	hypothetical protein	0.0034	0.064	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0983	0.1342
Entamoeba histolytica	hypothetical protein, conserved	0.012	0.2779	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0061	0.1307	0.2098
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Echinococcus granulosus	serotonin receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.1307	0.1307
Schistosoma mansoni	biogenic amine receptor	0.0061	0.1307	0.1157
Echinococcus granulosus	g-protein coupled receptor	0.0061	0.1307	0.1307
Schistosoma mansoni	hypothetical protein	0.0016	0.0177	0.0007
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0177	0.0177
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Brugia malayi	G-protein coupled receptor	0.0061	0.1307	0.1876
Mycobacterium ulcerans	hypothetical protein	0.0158	0.3748	0.5
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.012	0.2779	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0838	0.0935
Echinococcus multilocularis	sex peptide receptor	0.0061	0.1307	0.1307
Toxoplasma gondii	hypothetical protein	0.0048	0.0994	0.8512
Echinococcus multilocularis	neuropeptide s receptor	0.0061	0.1307	0.1307
Brugia malayi	G protein-coupled receptor	0.0061	0.1307	0.1876
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Onchocerca volvulus		0.0048	0.0983	0.1387
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.012	0.2779	0.2779
Entamoeba histolytica	DNA repair and recombination protein, putative	0.012	0.2779	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0061	0.1307	0.1307
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0033	0.06	0.0963
Brugia malayi	Serotonin receptor	0.0061	0.1307	0.1876
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0061	0.1307	0.1157
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus granulosus	somatostatin receptor	0.0061	0.1307	0.1307
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.6232	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0061	0.1307	0.2098
Brugia malayi	Melatonin receptor type 1A	0.0061	0.1307	0.1876
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.6232	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0061	0.1307	0.1307
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.1307	0.1307
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.1289	0.2068
Echinococcus granulosus	cpg binding protein	0.003	0.0537	0.0537
Onchocerca volvulus		0.0061	0.1307	0.2307
Echinococcus granulosus	lysine specific demethylase 5A	0.006	0.1289	0.1289
Brugia malayi	AKH receptor	0.0061	0.1307	0.1876
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0257	0.6232	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	hypothetical protein	0.0407	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.064	0.0776
Echinococcus granulosus	neuropeptide Y receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0177	0.0177
Brugia malayi	Ets-domain containing protein	0.0038	0.074	0.094
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Echinococcus granulosus	neuropeptides capa receptor	0.0061	0.1307	0.1307
Onchocerca volvulus		0.0061	0.1307	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1307	0.2098
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.1307	0.1157
Schistosoma mansoni	cpg binding protein	0.0029	0.0496	0.0331
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.03	0.7316	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.3511	0.5634
Schistosoma mansoni	gabp alpha	0.0038	0.074	0.058
Onchocerca volvulus		0.0061	0.1307	0.2307
Schistosoma mansoni	growth hormone secretagogue receptor	0.0061	0.1307	0.1157
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.1307	0.1157
Brugia malayi	sulfakinin receptor protein	0.0061	0.1307	0.1876
Echinococcus multilocularis	cpg binding protein	0.003	0.0537	0.0537
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.6232	1
Brugia malayi	MH2 domain containing protein	0.0063	0.1364	0.1969
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0061	0.1307	0.2098
Loa Loa (eye worm)	hypothetical protein	0.0149	0.3511	0.5634
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.1289	0.1138
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0061	0.1307	0.1876
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4013	0.3572
Echinococcus multilocularis	fmrfamide receptor	0.0061	0.1307	0.1307
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0061	0.1307	0.1307
Echinococcus multilocularis	tar DNA binding protein	0.0034	0.0619	0.0619
Echinococcus granulosus	tar DNA binding protein	0.0034	0.0619	0.0619
Brugia malayi	hypothetical protein	0.0061	0.1307	0.1876
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.1248	0.1096
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.1307	0.1307
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.3345	0.4444
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0983	0.0827
Echinococcus granulosus	7tm_1 domain containing protein	0.0061	0.1307	0.1307
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1039	0.1434

Activities

Activity type	Activity value	Assay description	Source	Reference
Kds (binding)	= 33.8 nM	Binding affinity towards Heat shock protein HSP 90-alpha inhibitor	ChEMBL.	14592488
Kds (binding)	= 33.8 nM	Binding affinity towards Heat shock protein HSP 90-alpha inhibitor	ChEMBL.	14592488

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 222603