TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 527.098 | Formula: C28H33ClN3O3S-
H donors: 1 H acceptors: 4 LogP: 4.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1ccc2c(c1)CCN(C2)CCC1CCC(CC1)NC(=O)/C=C\c1cccc(c1)S(=O)(=O)C.[Cl-]
InChi: 1S/C28H33N3O3S.ClH/c1-35(33,34)27-4-2-3-22(18-27)8-12-28(32)30-26-10-6-21(7-11-26)13-15-31-16-14-24-17-23(19-29)5-9-25(24)20-31;/h2-5,8-9,12,17-18,21,26H,6-7,10-11,13-16,20H2,1H3,(H,30,32);1H/p-1/b12-8+;/t21?,26-;
InChiKey: AWMRZHJPWZALJK-GZDXMBRVSA-M

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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	putative neuropeptide receptor	0.0044	0.0035	0.0029
Brugia malayi	neuropeptide F receptor	0.0044	0.0035	0.0029
Brugia malayi	Melatonin receptor type 1A	0.0044	0.0035	0.0029
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0021	0.0013
Onchocerca volvulus		0.0097	0.0347	0.0335
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0275	0.1399	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.1727	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0044	0.0035	0.0014
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0044	0.0035	0.0027
Brugia malayi	Serotonin receptor	0.0044	0.0035	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0275	0.1399	0.1392
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	sex peptide receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	hypothetical protein	0.0042	0.0021	0.0013
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0044	0.0035	0.0029
Plasmodium falciparum	transporter, putative	0.0275	0.1399	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	neuropeptide Y receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Leishmania major	cathepsin L-like protease	0.0074	0.0211	1
Onchocerca volvulus		0.0275	0.1399	0.1464
Brugia malayi	Dopamine receptor protein 2	0.0044	0.0035	0.0029
Brugia malayi	G protein-coupled receptor F59B2.13	0.0044	0.0035	0.0029
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	0.1392
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0275	0.1399	0.138
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0275	0.1399	0.1392
Loa Loa (eye worm)	serotonin transporter b	0.1618	0.9352	0.9351
Echinococcus multilocularis	g protein coupled receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	fmrfamide receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Echinococcus granulosus	tm gpcr rhodopsin	0.0044	0.0035	0.0014
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0044	0.0035	0.0027
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0044	0.0035	0.0027
Brugia malayi	sulfakinin receptor protein	0.0044	0.0035	0.0029
Echinococcus multilocularis	polycomb protein SCMH1	0.0056	0.0102	0.0081
Brugia malayi	Dopamine receptor	0.0044	0.0035	0.0029
Echinococcus granulosus	neuropeptide receptor A26	0.0044	0.0035	0.0014
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0044	0.0035	0.0014
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0044	0.0035	0.0027
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0063	0.0148	0.015
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	neuropeptide f receptor 76f	0.0044	0.0035	0.0027
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0044	0.0035	0.0014
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0275	0.1399	0.1392
Brugia malayi	neuropeptide F receptor	0.0044	0.0035	0.0029
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.1618	0.9352	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0117	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Schistosoma mansoni	sex comb on midleg homolog	0.0056	0.0102	0.0094
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0044	0.0035	0.0014
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Echinococcus granulosus	dro:myosuppressin receptor	0.0044	0.0035	0.0014
Brugia malayi	hypothetical protein	0.0042	0.0021	0.0014
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0275	0.1399	0.1392
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0275	0.1399	0.1392
Onchocerca volvulus		0.0275	0.1399	0.1464
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0044	0.0035	0.0027
Echinococcus multilocularis	fmrfamide receptor	0.0044	0.0035	0.0014
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0056	0.0102	0.0081
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0275	0.1399	0.138
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0117	0.0117
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0044	0.0035	0.0014
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	0.1488
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Schistosoma mansoni	biogenic amine receptor	0.0044	0.0035	0.0027
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0148	0.014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	g-protein coupled receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	7tm_1 domain containing protein	0.0044	0.0035	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0027	0.0005
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0027	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0044	0.0035	0.0014
Schistosoma mansoni	opsin-like receptor	0.0044	0.0035	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Echinococcus multilocularis	microtubule associated protein 2	0.0805	0.4541	0.4529
Schistosoma mansoni	adenoreceptor	0.0044	0.0035	0.0027
Echinococcus granulosus	polycomb protein SCMH1	0.0056	0.0102	0.0081
Loa Loa (eye worm)	TYRA-2 protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Echinococcus granulosus	fmrfamide receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	sex peptide receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	neuropeptides capa receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	G-protein coupled receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0063	0.0148	0.0127
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Toxoplasma gondii	hypothetical protein	0.0275	0.1399	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	serotonin transporter	0.1618	0.9352	0.9351
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0044	0.0035	0.0027
Echinococcus granulosus	microtubule associated protein 2	0.0805	0.4541	0.4529
Schistosoma mansoni	biogenic amine receptor	0.0044	0.0035	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Brugia malayi	GnHR receptor homolog	0.0044	0.0035	0.0029
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Echinococcus granulosus	histone acetyltransferase MYST2	0.0063	0.0148	0.0127
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0027	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0044	0.0035	0.0014
Plasmodium vivax	amine transporter, putative	0.0275	0.1399	0.5
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0063	0.0148	0.014
Echinococcus granulosus	g protein coupled receptor	0.0044	0.0035	0.0014
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	1
Onchocerca volvulus		0.1618	0.9352	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0044	0.0035	0.0027
Brugia malayi	G protein-coupled receptor	0.0044	0.0035	0.0029
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0097	0.0347	0.0327
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0275	0.1399	0.1392
Echinococcus multilocularis	neuropeptide receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	neuropeptides capa receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	G-protein coupled receptor	0.0044	0.0035	0.0027
Brugia malayi	ORL1-like opioid receptor	0.0044	0.0035	0.0029
Schistosoma mansoni	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	somatostatin receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	sodium/chloride dependent transporter	0.0275	0.1399	0.1392
Loa Loa (eye worm)	mbt repeat family protein	0.0056	0.0102	0.0094
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0401	0.215	0.2144
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.1618	0.9352	0.9351
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0347	0.0339
Schistosoma mansoni	opsin-like receptor	0.0044	0.0035	0.0027
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0044	0.0035	0.0029
Schistosoma mansoni	sodium/chloride dependent transporter	0.1618	0.9352	0.9351
Echinococcus granulosus	hypothetical protein	0.0044	0.0035	0.0014
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	serotonin transporter	0.1618	0.9352	0.9351
Schistosoma mansoni	opsin-like receptor	0.0044	0.0035	0.0027
Echinococcus multilocularis	allatostatin A receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	g protein coupled receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Brugia malayi	Dopamine receptor protein 1	0.0044	0.0035	0.0029
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0275	0.1399	0.138
Schistosoma mansoni	amine GPCR	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	orexin receptor type 2	0.0044	0.0035	0.0014
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0044	0.0035	0.0014
Schistosoma mansoni	amine GPCR	0.0044	0.0035	0.0027
Schistosoma mansoni	biogenic amine (5HT) receptor	0.1727	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0401	0.215	0.2293
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Echinococcus multilocularis	serotonin receptor	0.1727	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Brugia malayi	hypothetical protein	0.0275	0.1399	0.1488
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0044	0.0035	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Brugia malayi	mbt repeat family protein	0.0056	0.0102	0.0101
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0275	0.1399	0.138
Schistosoma mansoni	biogenic amine receptor	0.0044	0.0035	0.0027
Schistosoma mansoni	hypothetical protein	0.0044	0.0035	0.0027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Echinococcus granulosus	g protein coupled receptor	0.0044	0.0035	0.0014
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Echinococcus multilocularis	dro:myosuppressin receptor	0.0044	0.0035	0.0014
Onchocerca volvulus		0.0056	0.0102	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	sodium and chloride dependent glycine	0.0275	0.1399	0.138
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0275	0.1399	0.1392
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Echinococcus multilocularis	neuropeptide receptor A26	0.0044	0.0035	0.0014
Loa Loa (eye worm)	neuropeptide F receptor	0.0044	0.0035	0.0027
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0044	0.0035	0.0014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0211	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0044	0.0035	0.0027
Plasmodium vivax	hypothetical protein, conserved	0.0275	0.1399	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0275	0.1399	0.138
Echinococcus granulosus	neuropeptide receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0097	0.0347	0.0339
Leishmania major	cathepsin L-like protease	0.0074	0.0211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Loa Loa (eye worm)	inositol-1	0.0043	0.0027	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0056	0.0102	0.0072
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0275	0.1399	0.1392
Schistosoma mansoni	neuropeptide receptor	0.0044	0.0035	0.0027
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Loa Loa (eye worm)	hypothetical protein	0.1618	0.9352	0.9351
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0056	0.0102	0.0094
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	0.1488
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0027	0.0005
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0219	0.1072	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0044	0.0035	0.0029
Echinococcus granulosus	tm gpcr rhodopsin	0.0044	0.0035	0.0014
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0275	0.1399	0.138
Echinococcus granulosus	neuropeptide receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	serotonin receptor	0.1727	1	1
Brugia malayi	follicle stimulating hormone receptor	0.0044	0.0035	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	biogenic amine 5HT receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	hypothetical protein	0.0338	0.1776	0.1769
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0044	0.0035	0.0014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0275	0.1399	0.1392
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0063	0.0148	0.0127
Schistosoma mansoni	amine GPCR	0.0044	0.0035	0.0027
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	histamine h1 receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Brugia malayi	larval opioid receptor	0.0044	0.0035	0.0029
Schistosoma mansoni	neuropeptide F-like receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Schistosoma mansoni	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	norepinephrine transporter	0.1618	0.9352	0.9351
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0117	0.0109
Echinococcus granulosus	neuropeptide FF receptor 2	0.0044	0.0035	0.0014
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.0173	0.7939
Echinococcus granulosus	g-protein coupled receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	neuropeptide Y receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.1618	0.9352	0.9351
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Treponema pallidum	sodium- and chloride- dependent transporter	0.1618	0.9352	0.5
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0063	0.0148	0.0127
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0044	0.0035	0.0027
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0044	0.0035	0.0027
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Echinococcus multilocularis	G protein coupled receptor 139	0.0044	0.0035	0.0014
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Brugia malayi	Serotonin receptor	0.0044	0.0035	0.0029
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0275	0.1399	0.138
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Brugia malayi	RE15519p	0.0044	0.0035	0.0029
Brugia malayi	Inositol-1	0.0043	0.0027	0.002
Schistosoma mansoni	sex comb on midleg homolog	0.0056	0.0102	0.0094
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0044	0.0035	0.0014
Echinococcus multilocularis	neuropeptide receptor	0.0044	0.0035	0.0014
Brugia malayi	G-protein coupled receptor	0.0044	0.0035	0.0029
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.1727	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0044	0.0035	0.0029
Loa Loa (eye worm)	neuropeptide F receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Brugia malayi	G-protein coupled receptor	0.0044	0.0035	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0044	0.0035	0.0014
Plasmodium falciparum	amino acid transporter, putative	0.0275	0.1399	0.5
Loa Loa (eye worm)	solute carrier family 6 member 4	0.1618	0.9352	0.9351
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Echinococcus granulosus	neuropeptides capa receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	sodium/chloride dependent transporter	0.0275	0.1399	0.1392
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Schistosoma mansoni	neuropeptide receptor	0.0044	0.0035	0.0027
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0097	0.0347	0.0363
Loa Loa (eye worm)	hypothetical protein	0.1618	0.9352	0.9351
Loa Loa (eye worm)	MBCTL1	0.0063	0.0148	0.014
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0044	0.0035	0.0014
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0	0.5
Echinococcus multilocularis	somatostatin receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0102	0.0094
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.0027	0.5
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0275	0.1399	0.138
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Echinococcus granulosus	g protein coupled receptor	0.0044	0.0035	0.0014
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	0.1488
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0401	0.215	0.2144
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0027	0.5
Schistosoma mansoni	hypothetical protein	0.0044	0.0035	0.0027
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0211	1
Echinococcus multilocularis	neuropeptide s receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	orexin receptor type 2	0.0044	0.0035	0.0014
Schistosoma mansoni	amine GPCR	0.0044	0.0035	0.0027
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0044	0.0035	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0357	0.1886	0.1879
Schistosoma mansoni	myosin xvIII	0.0044	0.0035	0.0027
Toxoplasma gondii	hypothetical protein	0.0275	0.1399	1
Schistosoma mansoni	microtubule-associated protein tau	0.0805	0.4541	0.4536
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.0027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0044	0.0035	0.0027
Trypanosoma cruzi	major cysteine proteinase, putative	0.0058	0.0117	0.4917
Echinococcus granulosus	neuropeptide Y receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	growth hormone secretagogue receptor	0.0044	0.0035	0.0027
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0044	0.0035	0.0027
Leishmania major	cathepsin L-like protease	0.0074	0.0211	1
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0275	0.1399	0.1488
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0027	0.0018
Echinococcus multilocularis	g protein coupled receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0044	0.0035	0.0027
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0027	0.0018
Brugia malayi	mbt repeat family protein	0.0056	0.0102	0.0101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0044	0.0035	0.0027
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0044	0.0035	0.0029
Trypanosoma cruzi	cruzipain precursor, putative	0.0074	0.0211	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0275	0.1399	0.1392
Echinococcus granulosus	G protein coupled receptor 139	0.0044	0.0035	0.0014
Brugia malayi	AKH receptor	0.0044	0.0035	0.0029
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0044	0.0035	0.0014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0044	0.0035	0.0014
Brugia malayi	hypothetical protein	0.0044	0.0035	0.0029
Echinococcus granulosus	neuropeptide Y receptor	0.0044	0.0035	0.0014
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	melatonin receptor type 1A	0.0044	0.0035	0.0027
Echinococcus granulosus	serotonin receptor	0.0044	0.0035	0.0014
Echinococcus granulosus	L aminoadipate semialdehyde	0.0097	0.0347	0.0327
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0219	0.1072	0.1052
Echinococcus granulosus	sodium and chloride dependent glycine	0.0275	0.1399	0.138
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Echinococcus granulosus	allatostatin A receptor	0.0044	0.0035	0.0014
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0401	0.215	0.2144
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0044	0.0035	0.0027
Onchocerca volvulus		0.0275	0.1399	0.1464
Schistosoma mansoni	neuropeptide F-like receptor	0.0044	0.0035	0.0027
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0117	0.0109
Schistosoma mansoni	neuropeptide receptor	0.0044	0.0035	0.0027
Echinococcus granulosus	neuropeptide s receptor	0.0044	0.0035	0.0014
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0275	0.1399	0.138
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1399	0.1392
Echinococcus granulosus	rhodopsin orphan GPCR	0.0044	0.0035	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0035	0.0027
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0044	0.0035	0.0027
Schistosoma mansoni	amine GPCR	0.0044	0.0035	0.0027
Schistosoma mansoni	neuropeptide receptor	0.0044	0.0035	0.0027
Echinococcus granulosus	SAM and MBT domain containing protein	0.0056	0.0102	0.0081

Activities

Activity type	Activity value	Assay description	Source	Reference
F (ADMET)	= 45 %	Oral bioavailability in rat	ChEMBL.	10794704
Log Ki (binding)	= 5.2	Binding activity against human 5-hydroxytryptamine 1B receptor	ChEMBL.	10794704
Log Ki (binding)	= 5.4	Binding activity against human 5-hydroxytryptamine 1D receptor	ChEMBL.	10794704
Log Ki (binding)	= 6.5	Binding affinity for human Dopamine receptor D2 expressed in CHO cells	ChEMBL.	10794704
Log Ki (binding)	= 8.3	Binding affinity for human Dopamine receptor D3 expressed in CHO cells	ChEMBL.	10794704

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: 185659

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 84651