TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1638.74 | Formula: C78H99N19O21
H donors: 17 H acceptors: 19 LogP: 0.38 Rotable bonds: 57
Rule of 5 violations (Lipinski): 4
SMILES: NC(=N)NCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C1Cc2ccccc2OC1=O)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CC(=O)O)NC(=O)C1Cc2ccccc2OC1=O
InChi: 1S/C78H99N19O21/c79-64(104)49(91-72(112)57-27-16-34-97(57)74(114)55(36-44-19-5-2-6-20-44)95-70(110)53(40-63(102)103)90-61(99)42-88-68(108)51(25-14-32-86-78(82)83)93-66(106)48-38-46-22-8-10-29-59(46)118-76(48)116)23-11-12-30-84-71(111)56-26-15-33-96(56)73(113)54(35-43-17-3-1-4-18-43)94-69(109)52(39-62(100)101)89-60(98)41-87-67(107)50(24-13-31-85-77(80)81)92-65(105)47-37-45-21-7-9-28-58(45)117-75(47)115/h1-10,17-22,28-29,47-57H,11-16,23-27,30-42H2,(H2,79,104)(H,84,111)(H,87,107)(H,88,108)(H,89,98)(H,90,99)(H,91,112)(H,92,105)(H,93,106)(H,94,109)(H,95,110)(H,100,101)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t47?,48?,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
InChiKey: HAAXCURDTFUXEW-IKKYNZEHSA-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
Brugia malayi	Dopamine receptor	0.0069	0.0491	0.046
Echinococcus granulosus	serotonin receptor	0.0069	0.0491	0.046
Echinococcus granulosus	neuropeptide FF receptor 2	0.0069	0.0491	0.046
Brugia malayi	Melatonin receptor type 1A	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0016	0.0033	0.0206
Echinococcus multilocularis	acetylcholinesterase	0.1161	1	1
Echinococcus multilocularis	serotonin receptor	0.0069	0.0491	0.046
Brugia malayi	neuropeptide F receptor	0.0069	0.0491	0.046
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0069	0.0491	0.046
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0016	0.0033	0.0206
Echinococcus granulosus	dro:myosuppressin receptor	0.0069	0.0491	0.046
Schistosoma mansoni	histamine h1 receptor	0.0069	0.0491	0.046
Schistosoma mansoni	acetylcholinesterase	0.0196	0.16	0.1572
Echinococcus multilocularis	somatostatin receptor	0.0069	0.0491	0.046
Schistosoma mansoni	amine GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus multilocularis	G protein coupled receptor 139	0.0069	0.0491	0.046
Echinococcus granulosus	somatostatin receptor	0.0069	0.0491	0.046
Brugia malayi	Carboxylesterase family protein	0.0196	0.16	0.1572
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0069	0.0491	0.046
Echinococcus granulosus	hypothetical protein	0.0069	0.0491	0.046
Giardia lamblia	Cathepsin B precursor	0.0022	0.0084	0.0791
Echinococcus multilocularis	sex peptide receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	biogenic amine 5HT receptor	0.0069	0.0491	0.046
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0091	0.0684	0.0654
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0069	0.0491	0.046
Brugia malayi	G protein-coupled receptor	0.0069	0.0491	0.046
Schistosoma mansoni	hypothetical protein	0.0069	0.0491	0.046
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0091	0.0684	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Echinococcus multilocularis	cathepsin b	0.0067	0.0475	0.0444
Schistosoma mansoni	biogenic amine receptor	0.0069	0.0491	0.046
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.1161	1	1
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0067	0.0475	0.0444
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0091	0.0684	0.4278
Schistosoma mansoni	myosin xvIII	0.0069	0.0491	0.046
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0091	0.0684	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0069	0.0491	0.0491
Loa Loa (eye worm)	carboxylesterase	0.0196	0.16	0.16
Trichomonas vaginalis	tubulin beta chain, putative	0.0016	0.0033	0.0206
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0196	0.16	0.1572
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0091	0.0684	0.0654
Schistosoma mansoni	amine GPCR	0.0069	0.0491	0.046
Echinococcus multilocularis	carboxylesterase 5A	0.1161	1	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0022	0.0084	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	7tm_1 domain containing protein	0.0069	0.0491	0.046
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0196	0.16	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0069	0.0491	0.046
Brugia malayi	Serotonin receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0069	0.0491	0.046
Brugia malayi	RE15519p	0.0069	0.0491	0.046
Brugia malayi	eukaryotic initiation factor 4A	0.0091	0.0684	0.0654
Echinococcus granulosus	biogenic amine 5HT receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	neuropeptide Y receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0069	0.0491	0.0491
Leishmania major	eukaryotic initiation factor 4a, putative	0.0091	0.0684	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0069	0.0491	0.046
Echinococcus multilocularis	g protein coupled receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	tm gpcr rhodopsin	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Loa Loa (eye worm)	neuropeptide F receptor	0.0069	0.0491	0.0491
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0069	0.0491	0.046
Treponema pallidum	ATP-dependent RNA helicase	0.0091	0.0684	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0196	0.16	0.1572
Echinococcus granulosus	tm gpcr rhodopsin	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Brugia malayi	Carboxylesterase family protein	0.0196	0.16	0.1572
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0069	0.0491	0.046
Schistosoma mansoni	adenoreceptor	0.0069	0.0491	0.046
Echinococcus granulosus	tm gpcr rhodopsin	0.0069	0.0491	0.046
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Toxoplasma gondii	cathepsin B	0.0022	0.0084	0.0791
Echinococcus multilocularis	neuropeptide s receptor	0.0069	0.0491	0.046
Echinococcus granulosus	neuropeptides capa receptor	0.0069	0.0491	0.046
Brugia malayi	neuropeptide F receptor	0.0069	0.0491	0.046
Echinococcus granulosus	7TM GPCR rhodopsin	0.0069	0.0491	0.046
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0016	0.0033	0.0033
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0091	0.0684	0.0654
Echinococcus multilocularis	neuropeptide receptor	0.0069	0.0491	0.046
Brugia malayi	ORL1-like opioid receptor	0.0069	0.0491	0.046
Echinococcus granulosus	g protein coupled receptor	0.0069	0.0491	0.046
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Echinococcus granulosus	g protein coupled receptor	0.0069	0.0491	0.046
Echinococcus granulosus	acetylcholinesterase	0.1161	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0069	0.0491	0.046
Echinococcus multilocularis	g protein coupled receptor	0.0069	0.0491	0.046
Schistosoma mansoni	amine GPCR	0.0069	0.0491	0.046
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0475	0.0444
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0069	0.0491	0.046
Schistosoma mansoni	growth hormone secretagogue receptor	0.0069	0.0491	0.046
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Trichomonas vaginalis	spcc417.12 protein, putative	0.0196	0.16	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0022	0.0084	0.0791
Trichomonas vaginalis	tubulin beta chain, putative	0.0016	0.0033	0.0206
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	neuropeptides capa receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0069	0.0491	0.046
Loa Loa (eye worm)	G-protein coupled receptor	0.0069	0.0491	0.0491
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Brugia malayi	putative neuropeptide receptor	0.0069	0.0491	0.046
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0069	0.0491	0.046
Onchocerca volvulus		0.0196	0.16	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0069	0.0491	0.046
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0069	0.0491	0.046
Loa Loa (eye worm)	cathepsin B	0.0022	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Leishmania major	eukaryotic initiation factor 4a, putative	0.0091	0.0684	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0069	0.0491	0.046
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0016	0.0033	0.0206
Brugia malayi	cathepsin B-like cysteine proteinase	0.0067	0.0475	0.0444
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0475	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0196	0.16	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Brugia malayi	G-protein coupled receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0091	0.0684	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	neuropeptide receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	allatostatin A receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Plasmodium vivax	RNA helicase-1, putative	0.0091	0.0684	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0069	0.0491	0.046
Loa Loa (eye worm)	carboxylesterase	0.0196	0.16	0.16
Loa Loa (eye worm)	alpha-tubulin	0.0016	0.0033	0.0033
Echinococcus multilocularis	g protein coupled receptor	0.0069	0.0491	0.046
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0069	0.0491	0.046
Brugia malayi	GnHR receptor homolog	0.0069	0.0491	0.046
Echinococcus granulosus	cathepsin b	0.0067	0.0475	0.0444
Echinococcus granulosus	g-protein coupled receptor	0.0069	0.0491	0.046
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0196	0.16	0.1572
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0091	0.0684	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0091	0.0684	1
Echinococcus multilocularis	neuroligin	0.0196	0.16	0.1572
Trichomonas vaginalis	tubulin beta chain, putative	0.0016	0.0033	0.0206
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0196	0.16	0.1572
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0196	0.16	1
Brugia malayi	follicle stimulating hormone receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	neuropeptide Y receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	tubulin alpha chain	0.0016	0.0033	0.0033
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Schistosoma mansoni	neuropeptide f receptor 76f	0.0069	0.0491	0.046
Brugia malayi	G-protein coupled receptor	0.0069	0.0491	0.046
Brugia malayi	larval opioid receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0069	0.0491	0.0491
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	cathepsin b	0.0067	0.0475	0.0444
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0069	0.0491	0.046
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0196	0.16	0.16
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0069	0.0491	0.046
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0091	0.0684	0.1741
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus multilocularis	allatostatin A receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	alpha-tubulin	0.0016	0.0033	0.0033
Brugia malayi	sulfakinin receptor protein	0.0069	0.0491	0.046
Schistosoma mansoni	biogenic amine receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0069	0.0491	0.046
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0196	0.16	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0069	0.0491	0.046
Schistosoma mansoni	hypothetical protein	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus multilocularis	neuropeptides capa receptor	0.0069	0.0491	0.046
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0022	0.0084	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0069	0.0491	0.046
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	G-protein coupled receptor	0.0069	0.0491	0.0491
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0069	0.0491	0.046
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0069	0.0491	0.0491
Echinococcus granulosus	BC026374 protein S09 family	0.0196	0.16	0.1572
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0069	0.0491	0.046
Mycobacterium ulcerans	carboxylesterase, LipT	0.0196	0.16	0.5
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0069	0.0491	0.046
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0091	0.0684	0.4278
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0196	0.16	0.1572
Echinococcus granulosus	para nitrobenzyl esterase	0.0196	0.16	0.1572
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Brugia malayi	hypothetical protein	0.0196	0.16	0.1572
Echinococcus granulosus	neuropeptide receptor	0.0069	0.0491	0.046
Schistosoma mansoni	BC026374 protein (S09 family)	0.0196	0.16	0.1572
Schistosoma mansoni	amine GPCR	0.0069	0.0491	0.046
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0069	0.0491	0.046
Brugia malayi	Carboxylesterase family protein	0.1161	1	1
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0091	0.0684	1
Echinococcus multilocularis	orexin receptor type 2	0.0069	0.0491	0.046
Schistosoma mansoni	opsin-like receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	TYRA-2 protein	0.0069	0.0491	0.0491
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0069	0.0491	0.046
Onchocerca volvulus		0.0196	0.16	1
Schistosoma mansoni	opsin-like receptor	0.0069	0.0491	0.046
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0091	0.0684	0.0654
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0069	0.0491	0.046
Onchocerca volvulus		0.0196	0.16	1
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0491	0.046
Echinococcus granulosus	acetylcholinesterase	0.1161	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0069	0.0491	0.046
Giardia lamblia	Cathepsin B precursor	0.0022	0.0084	0.0791
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0091	0.0684	1
Brugia malayi	Carboxylesterase family protein	0.0196	0.16	0.1572
Schistosoma mansoni	memapsin-2 (A01 family)	0.0184	0.1495	0.1467
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0475	0.0444
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Onchocerca volvulus		0.0196	0.16	1
Onchocerca volvulus		0.0196	0.16	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0067	0.0475	0.6786
Echinococcus multilocularis	neuropeptides capa receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	orexin receptor type 2	0.0069	0.0491	0.046
Loa Loa (eye worm)	tubulin alpha chain	0.0016	0.0033	0.0033
Echinococcus granulosus	neuropeptide Y receptor	0.0069	0.0491	0.046
Brugia malayi	AKH receptor	0.0069	0.0491	0.046
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	neuropeptide receptor A26	0.0069	0.0491	0.046
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0069	0.0491	0.046
Schistosoma mansoni	neuropeptide F-like receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	g-protein coupled receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	melatonin receptor type 1A	0.0069	0.0491	0.0491
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	dro:myosuppressin receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	acetylcholinesterase 1	0.1161	1	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0684	0.0684
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Trichomonas vaginalis	tubulin beta chain, putative	0.0016	0.0033	0.0206
Echinococcus multilocularis	para nitrobenzyl esterase	0.0196	0.16	0.1572
Echinococcus multilocularis	acetylcholinesterase	0.1161	1	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0069	0.0491	0.046
Giardia lamblia	Cathepsin B precursor	0.0022	0.0084	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Trichomonas vaginalis	tubulin beta chain, putative	0.0016	0.0033	0.0206
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0091	0.0684	1
Echinococcus multilocularis	fmrfamide receptor	0.0069	0.0491	0.046
Echinococcus granulosus	carboxylesterase 5A	0.1161	1	1
Schistosoma mansoni	biogenic amine receptor	0.0069	0.0491	0.046
Schistosoma mansoni	gliotactin	0.0196	0.16	0.1572
Echinococcus multilocularis	serotonin receptor	0.0069	0.0491	0.046
Brugia malayi	G protein-coupled receptor F59B2.13	0.0069	0.0491	0.046
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0491	0.046
Schistosoma mansoni	hypothetical protein	0.0069	0.0491	0.046
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0069	0.0491	0.046
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	carboxylesterase	0.1161	1	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	fmrfamide receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0196	0.16	0.1572
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0091	0.0684	0.0654
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	g protein coupled receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	neuropeptide s receptor	0.0069	0.0491	0.046
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0022	0.0084	0.0791
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.1161	1	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0475	0.0475
Brugia malayi	Dopamine receptor protein 2	0.0069	0.0491	0.046
Schistosoma mansoni	neuropeptide receptor	0.0069	0.0491	0.046
Schistosoma mansoni	amine GPCR	0.0069	0.0491	0.046
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0091	0.0684	0.4278
Schistosoma mansoni	hypothetical protein	0.0069	0.0491	0.046
Trichomonas vaginalis	tubulin beta chain, putative	0.0016	0.0033	0.0206
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0196	0.16	0.1572
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0069	0.0491	0.046
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0069	0.0491	0.046
Echinococcus multilocularis	neuropeptide Y receptor	0.0069	0.0491	0.046
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0069	0.0491	0.046
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0022	0.0084	0.0528
Echinococcus granulosus	cathepsin b	0.0067	0.0475	0.0444
Schistosoma mansoni	opsin-like receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0069	0.0491	0.0491
Brugia malayi	hypothetical protein	0.0069	0.0491	0.046
Brugia malayi	Carboxylesterase family protein	0.0196	0.16	0.1572
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1161	1	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus multilocularis	fmrfamide receptor	0.0069	0.0491	0.046
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Echinococcus granulosus	neuroligin	0.0196	0.16	0.1572
Echinococcus granulosus	sex peptide receptor	0.0069	0.0491	0.046
Schistosoma mansoni	neuropeptide F-like receptor	0.0069	0.0491	0.046
Echinococcus granulosus	neuropeptide receptor	0.0069	0.0491	0.046
Brugia malayi	Dopamine receptor protein 1	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0491	0.0491
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0069	0.0491	0.046
Echinococcus granulosus	rhodopsin orphan GPCR	0.0069	0.0491	0.046
Echinococcus granulosus	G protein coupled receptor 139	0.0069	0.0491	0.046
Brugia malayi	Serotonin receptor	0.0069	0.0491	0.046
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0033	0.0033

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 2 uM	In vitro inhibition of ADP induced human platelet aggregation in platelet rich plasma(PRP) and presence of Tris buffer.	ChEMBL.	No reference
IC50 (functional)	= 2 uM	In vitro inhibition of ADP induced human platelet aggregation in platelet rich plasma(PRP) and presence of Tris buffer.	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 378529