TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 592.049 | Formula: C30H33ClF3N3O4
H donors: 3 H acceptors: 3 LogP: 5.24 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: O=C([C@@H]1N(CC(F)(F)F)[C@]23CC[C@]1(O)[C@H]1[C@]43CCN([C@@H]2Cc2c4c(O1)c(O)cc2)CC1CC1)Nc1ccccc1.Cl
InChi: 1S/C30H32F3N3O4.ClH/c31-30(32,33)16-36-24(25(38)34-19-4-2-1-3-5-19)28(39)10-11-29(36)21-14-18-8-9-20(37)23-22(18)27(29,26(28)40-23)12-13-35(21)15-17-6-7-17;/h1-5,8-9,17,21,24,26,37,39H,6-7,10-16H2,(H,34,38);1H/t21-,24+,26-,27+,28-,29-;/m1./s1
InChiKey: SZRRXUPHMZHNHZ-ICIJNMKESA-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

Species	Target name	Source	Bibliographic reference
Cavia porcellus	Kappa opioid receptor	Starlite/ChEMBL	References
Mus musculus	opioid receptor, mu 1	Starlite/ChEMBL	References
Mus musculus	opioid receptor, delta 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tm gpcr rhodopsin	Get druggable targets OG5_139759	All targets in OG5_139759
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Get druggable targets OG5_139759	All targets in OG5_139759

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Kappa opioid receptor	380 aa	326 aa	25.2 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	Kappa opioid receptor	380 aa	306 aa	21.2 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Kappa opioid receptor	380 aa	379 aa	22.4 %
Brugia malayi	GnHR receptor homolog	Kappa opioid receptor	380 aa	341 aa	20.2 %
Brugia malayi	hypothetical protein	Kappa opioid receptor	380 aa	320 aa	20.6 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Kappa opioid receptor	380 aa	403 aa	23.3 %
Echinococcus granulosus	allatostatin A receptor	Kappa opioid receptor	380 aa	317 aa	28.4 %
Echinococcus multilocularis	allatostatin A receptor	Kappa opioid receptor	380 aa	313 aa	27.2 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	310 aa	27.4 %
Onchocerca volvulus	Phosphoinositide 3-kinase adapter subunit homolog	Kappa opioid receptor	380 aa	323 aa	22.6 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Kappa opioid receptor	380 aa	392 aa	25.8 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	310 aa	24.2 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	374 aa	27.5 %
Echinococcus granulosus	somatostatin receptor	Kappa opioid receptor	380 aa	342 aa	19.6 %
Onchocerca volvulus	Mitogen-activated protein kinase kinase kinase 8 homolog	Kappa opioid receptor	380 aa	395 aa	20.3 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Kappa opioid receptor	380 aa	334 aa	25.4 %
Brugia malayi	hypothetical protein	Kappa opioid receptor	380 aa	319 aa	21.6 %
Onchocerca volvulus	Phospholipase d-related homolog	Kappa opioid receptor	380 aa	326 aa	20.9 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Kappa opioid receptor	380 aa	389 aa	25.7 %
Schistosoma japonicum	Rhodopsin, putative	Kappa opioid receptor	380 aa	329 aa	23.1 %
Brugia malayi	ORL1-like opioid receptor	Kappa opioid receptor	380 aa	312 aa	25.3 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	310 aa	25.8 %
Schistosoma japonicum	ko:K04255 opsin 4 (melanopsin), putative	Kappa opioid receptor	380 aa	352 aa	20.2 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Kappa opioid receptor	380 aa	313 aa	26.2 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	Kappa opioid receptor	380 aa	316 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0139	0.0165	0.0156
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Brugia malayi	G protein-coupled receptor F59B2.13	0.0086	0.0079	0.2415
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0086	0.0079	0.0735
Onchocerca volvulus		0.0092	0.0089	0.2319
Echinococcus multilocularis	sex peptide receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	dro:myosuppressin receptor	0.0086	0.0079	0.0735
Echinococcus granulosus	neuropeptide s receptor	0.0086	0.0079	0.0735
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0086	0.0079	0.2415
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0086	0.0079	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	neuropeptide Y receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Schistosoma mansoni	amine GPCR	0.0086	0.0079	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0125	0.0142	0.0132
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0051	0.0024	0.0014
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0086	0.0079	0.0735
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0092	0.0089	0.3972
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0086	0.0079	0.3562
Echinococcus granulosus	g protein coupled receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0223	0.6779
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.003	0.002
Echinococcus multilocularis	fmrfamide receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.003	0.0278
Onchocerca volvulus		0.0086	0.0079	0.2077
Loa Loa (eye worm)	melatonin receptor type 1A	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0089	0.2696
Chlamydia trachomatis	UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase	0.0199	0.0261	0.535
Onchocerca volvulus		0.0086	0.0079	0.2077
Schistosoma mansoni	amine GPCR	0.0086	0.0079	0.3562
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0086	0.0079	0.0735
Mycobacterium ulcerans	thymidylate synthase	0.0125	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	neuropeptide Y receptor	0.0086	0.0079	0.0735
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0055	0.0509
Onchocerca volvulus		0.0086	0.0079	0.2077
Loa Loa (eye worm)	dihydrofolate reductase	0.0051	0.0024	0.0715
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Loa Loa (eye worm)	glutathione reductase	0.0055	0.003	0.0911
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Brugia malayi	Dopamine receptor protein 2	0.0086	0.0079	0.2415
Schistosoma mansoni	hypothetical protein	0.0086	0.0079	0.3562
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0059	0.0037	0.1662
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0086	0.0079	0.0735
Echinococcus granulosus	thymidylate synthase	0.0125	0.0142	0.1313
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0125	0.0143	0.0133
Schistosoma mansoni	myosin xvIII	0.0086	0.0079	0.3562
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0092	0.0089	0.3972
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0139	0.0165	0.0156
Mycobacterium ulcerans	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0199	0.0261	0.0261
Echinococcus granulosus	sex peptide receptor	0.0086	0.0079	0.0735
Echinococcus granulosus	serotonin transporter	0.0175	0.0223	0.2065
Brugia malayi	G-protein coupled receptor	0.0086	0.0079	0.2415
Brugia malayi	Dopamine receptor	0.0086	0.0079	0.2415
Schistosoma mansoni	amine GPCR	0.0086	0.0079	0.3562
Echinococcus granulosus	neuropeptide Y receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0086	0.0079	0.2415
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0086	0.0079	0.2415
Echinococcus multilocularis	neuropeptide receptor	0.0086	0.0079	0.0735
Onchocerca volvulus		0.0086	0.0079	0.2077
Onchocerca volvulus		0.0086	0.0079	0.2077
Onchocerca volvulus		0.0086	0.0079	0.2077
Echinococcus granulosus	7tm_1 domain containing protein	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Brugia malayi	putative neuropeptide receptor	0.0086	0.0079	0.2415
Onchocerca volvulus		0.0086	0.0079	0.2077
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0086	0.0079	0.2415
Echinococcus multilocularis	dro:myosuppressin receptor	0.0086	0.0079	0.0735
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0086	0.0079	0.2415
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	neuropeptide F receptor	0.0086	0.0079	0.2415
Onchocerca volvulus		0.0086	0.0079	0.2077
Echinococcus multilocularis	allatostatin A receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0125	0.0142	0.0132
Onchocerca volvulus		0.0086	0.0079	0.2077
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0223	0.6779
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Schistosoma mansoni	neuropeptide F-like receptor	0.0086	0.0079	0.3562
Loa Loa (eye worm)	thymidylate synthase	0.0125	0.0142	0.4311
Echinococcus granulosus	G protein coupled receptor 139	0.0086	0.0079	0.0735
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0055	0.2461
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.0143	0.0133
Brugia malayi	AKH receptor	0.0086	0.0079	0.2415
Loa Loa (eye worm)	neuropeptide F receptor	0.0086	0.0079	0.2415
Brugia malayi	Dopamine receptor protein 1	0.0086	0.0079	0.2415
Loa Loa (eye worm)	norepinephrine transporter	0.0175	0.0223	0.6779
Brugia malayi	G protein-coupled receptor	0.0086	0.0079	0.2415
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Echinococcus granulosus	neuropeptide receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	g protein coupled receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	g protein coupled receptor	0.0086	0.0079	0.0735
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Loa Loa (eye worm)	G-protein coupled receptor	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.003	0.1343
Plasmodium falciparum	cysteine--tRNA ligase	0.0092	0.0089	0.3972
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0086	0.0079	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	TYRA-2 protein	0.0086	0.0079	0.2415
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0139	0.0165	0.0156
Mycobacterium leprae	ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0146	0.0175	0.0166
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Echinococcus granulosus	g protein coupled receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0086	0.0079	0.0735
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0086	0.0079	0.0735
Brugia malayi	dihydrofolate reductase family protein	0.0051	0.0024	0.0715
Toxoplasma gondii	thioredoxin reductase	0.0055	0.003	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	leucyl tRNA synthetase	0.0092	0.0089	0.0821
Echinococcus multilocularis	somatostatin receptor	0.0086	0.0079	0.0735
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0086	0.0079	0.3562
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0055	0.0055
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	dihydrofolate reductase	0.0051	0.0024	0.0218
Plasmodium falciparum	glutathione reductase	0.0055	0.003	0.1343
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0862	0.1322	0.1314
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0862	0.1322	0.1322
Brugia malayi	Dihydrofolate reductase	0.0051	0.0024	0.0715
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0086	0.0079	0.0735
Echinococcus multilocularis	thymidylate synthase	0.0125	0.0142	0.1313
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0086	0.0079	0.3562
Onchocerca volvulus		0.0086	0.0079	0.2077
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0092	0.0089	0.2696
Echinococcus granulosus	neuropeptide receptor	0.0086	0.0079	0.0735
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.6278	1	1
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0092	0.0089	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0223	0.6779
Echinococcus granulosus	allatostatin A receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0086	0.0079	0.0735
Onchocerca volvulus		0.0125	0.0142	0.3709
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Brugia malayi	neuropeptide F receptor	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0086	0.0079	0.0735
Schistosoma mansoni	opsin-like receptor	0.0086	0.0079	0.3562
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0092	0.0089	0.0821
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0086	0.0079	0.2415
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0086	0.0079	0.0735
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0086	0.0079	0.0735
Trichomonas vaginalis	set domain proteins, putative	0.0275	0.0383	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0086	0.0079	0.0735
Echinococcus granulosus	tm gpcr rhodopsin	0.0086	0.0079	0.0735
Onchocerca volvulus		0.0086	0.0079	0.2077
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Brugia malayi	hypothetical protein	0.0059	0.0037	0.1128
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0086	0.0079	0.0735
Onchocerca volvulus		0.0086	0.0079	0.2077
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0086	0.0079	0.0735
Echinococcus multilocularis	fmrfamide receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Schistosoma mansoni	neuropeptide f receptor 76f	0.0086	0.0079	0.3562
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	neuropeptide FF receptor 2	0.0086	0.0079	0.0735
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	orexin receptor type 2	0.0086	0.0079	0.0735
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0176	0.0223	1
Chlamydia trachomatis	cysteine--tRNA ligase	0.0092	0.0089	0.1471
Mycobacterium tuberculosis	Probable oxidoreductase	0.0139	0.0165	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Onchocerca volvulus		0.0086	0.0079	0.2077
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0055	0.0055
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0862	0.1322	1
Brugia malayi	Serotonin receptor	0.0086	0.0079	0.2415
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0086	0.0079	0.0735
Mycobacterium ulcerans	glycosyltransferase	0.0042	0.001	0.001
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase	0.0199	0.0261	0.1394
Mycobacterium tuberculosis	Probable reductase	0.0125	0.0143	0.0133
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0328	0.0467	1
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0092	0.0089	0.0089
Echinococcus granulosus	tm gpcr rhodopsin	0.0086	0.0079	0.0735
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0086	0.0079	0.2077
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0086	0.0079	0.3562
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0092	0.0089	0.2696
Trypanosoma brucei	trypanothione reductase	0.0055	0.003	0.1343
Echinococcus granulosus	neuropeptides capa receptor	0.0086	0.0079	0.0735
Schistosoma mansoni	neuropeptide receptor	0.0086	0.0079	0.3562
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.003	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	neuropeptides capa receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	g protein coupled receptor	0.0086	0.0079	0.0735
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.0143	0.0133
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Onchocerca volvulus		0.0175	0.0223	0.5832
Schistosoma mansoni	amine GPCR	0.0086	0.0079	0.3562
Schistosoma mansoni	hypothetical protein	0.0086	0.0079	0.3562
Plasmodium falciparum	thioredoxin reductase	0.0055	0.003	0.1343
Schistosoma mansoni	biogenic amine receptor	0.0086	0.0079	0.3562
Schistosoma mansoni	biogenic amine receptor	0.0086	0.0079	0.3562
Schistosoma mansoni	histamine h1 receptor	0.0086	0.0079	0.3562
Brugia malayi	putative neuropeptide receptor NPR1	0.0086	0.0079	0.2415
Leishmania major	trypanothione reductase	0.0055	0.003	0.1343
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0176	0.0223	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0086	0.0079	0.0735
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0086	0.0079	0.0735
Brugia malayi	follicle stimulating hormone receptor	0.0086	0.0079	0.2415
Schistosoma mansoni	neuropeptide receptor	0.0086	0.0079	0.3562
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0176	0.0223	1
Schistosoma mansoni	opsin-like receptor	0.0086	0.0079	0.3562
Brugia malayi	Melatonin receptor type 1A	0.0086	0.0079	0.2415
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0086	0.0079	0.2077
Schistosoma mansoni	neuropeptide receptor	0.0086	0.0079	0.3562
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0055	0.0055
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0051	0.0024	0.0024
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0092	0.0089	0.3972
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	hypothetical protein	0.0086	0.0079	0.0735
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0086	0.0079	0.3562
Treponema pallidum	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0199	0.0261	0.4548
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0086	0.0079	0.3562
Schistosoma mansoni	hypothetical protein	0.0086	0.0079	0.3562
Echinococcus granulosus	neuropeptide receptor A26	0.0086	0.0079	0.0735
Loa Loa (eye worm)	serotonin transporter b	0.0175	0.0223	0.6779
Brugia malayi	hypothetical protein	0.0086	0.0079	0.2415
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0176	0.0223	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0092	0.0089	0.3976
Echinococcus multilocularis	neuropeptide receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0086	0.0079	0.2415
Onchocerca volvulus		0.0275	0.0383	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	serotonin receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.003	0.0911
Schistosoma mansoni	opsin-like receptor	0.0086	0.0079	0.3562
Onchocerca volvulus		0.0086	0.0079	0.2077
Echinococcus multilocularis	g-protein coupled receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	G-protein coupled receptor	0.0086	0.0079	0.2415
Echinococcus granulosus	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Onchocerca volvulus		0.0086	0.0079	0.2077
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0086	0.0079	0.3562
Onchocerca volvulus		0.0086	0.0079	0.2077
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Brugia malayi	glutathione reductase	0.0055	0.003	0.0911
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0086	0.0079	0.3562
Echinococcus granulosus	biogenic amine 5HT receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	neuropeptide receptor A26	0.0086	0.0079	0.0735
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0086	0.0079	0.2415
Echinococcus granulosus	7TM GPCR rhodopsin	0.0086	0.0079	0.0735
Echinococcus granulosus	neuropeptides capa receptor	0.0086	0.0079	0.0735
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.0037	0.097
Mycobacterium tuberculosis	Hypothetical protein	0.0059	0.0037	0.0028
Brugia malayi	RE15519p	0.0086	0.0079	0.2415
Echinococcus granulosus	g protein coupled receptor	0.0086	0.0079	0.0735
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0086	0.0079	0.3562
Mycobacterium tuberculosis	Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0146	0.0175	0.0166
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0086	0.0079	0.3562
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0086	0.0079	0.0735
Echinococcus granulosus	serotonin receptor	0.0086	0.0079	0.0735
Brugia malayi	Serotonin receptor	0.0086	0.0079	0.2415
Brugia malayi	ORL1-like opioid receptor	0.0086	0.0079	0.2415
Schistosoma mansoni	dihydrofolate reductase	0.0051	0.0024	0.1055
Mycobacterium leprae	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0862	0.1322	0.1314
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0175	0.0223	0.6779
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0055	0.2464
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0086	0.0079	0.3562
Echinococcus multilocularis	G protein coupled receptor 139	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0086	0.0079	0.0735
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.0143	0.0133
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0092	0.0089	0.3972
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0175	0.0223	0.6779
Brugia malayi	Pre-SET motif family protein	0.0242	0.0329	1
Schistosoma mansoni	biogenic amine receptor	0.0086	0.0079	0.3562
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0176	0.0223	1
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.6278	1	1
Plasmodium vivax	glutathione reductase, putative	0.0055	0.003	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0055	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0092	0.0089	0.2319
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0092	0.0089	0.3972
Schistosoma mansoni	adenoreceptor	0.0086	0.0079	0.3562
Echinococcus granulosus	dihydrofolate reductase	0.0051	0.0024	0.0218
Brugia malayi	neuropeptide F receptor	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus granulosus	biogenic amine 5HT receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.0329	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0086	0.0079	0.0735
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0086	0.0079	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	serotonin receptor	0.0086	0.0079	0.0735
Brugia malayi	G-protein coupled receptor	0.0086	0.0079	0.2415
Schistosoma mansoni	growth hormone secretagogue receptor	0.0086	0.0079	0.3562
Echinococcus granulosus	tm gpcr rhodopsin	0.0711	0.1081	1
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0092	0.0089	0.0821
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0051	0.0024	0.0014
Echinococcus multilocularis	neuropeptides capa receptor	0.0086	0.0079	0.0735
Echinococcus granulosus	g-protein coupled receptor	0.0086	0.0079	0.0735
Brugia malayi	thymidylate synthase	0.0125	0.0142	0.4311
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0092	0.0089	0.3976
Brugia malayi	Thioredoxin reductase	0.0055	0.003	0.0911
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0092	0.0089	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0086	0.0079	0.0735
Schistosoma mansoni	amine GPCR	0.0086	0.0079	0.3562
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0125	0.0142	0.636
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0086	0.0079	0.3562
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0711	0.1081	1
Brugia malayi	GnHR receptor homolog	0.0086	0.0079	0.2415
Schistosoma mansoni	neuropeptide F-like receptor	0.0086	0.0079	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	neuropeptide Y receptor	0.0086	0.0079	0.0735
Echinococcus multilocularis	serotonin transporter	0.0175	0.0223	0.2065
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.0143	0.0133
Echinococcus multilocularis	orexin receptor type 2	0.0086	0.0079	0.0735
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0086	0.0079	0.2415
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0086	0.0079	0.3562
Brugia malayi	larval opioid receptor	0.0086	0.0079	0.2415
Brugia malayi	sulfakinin receptor protein	0.0086	0.0079	0.2415
Treponema pallidum	sodium- and chloride- dependent transporter	0.0175	0.0223	0.3556
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0055	0.0045
Onchocerca volvulus		0.0086	0.0079	0.2077
Plasmodium falciparum	cysteine--tRNA ligase	0.0092	0.0089	0.3972
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0055	0.2461
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.0143	0.0133
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0055	0.2464
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.003	0.0278
Echinococcus multilocularis	neuropeptide s receptor	0.0086	0.0079	0.0735
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0092	0.0089	0.3972
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Schistosoma mansoni	neuropeptide receptor	0.0086	0.0079	0.3562
Echinococcus granulosus	fmrfamide receptor	0.0086	0.0079	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0175	0.0223	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0086	0.0079	0.2415
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0086	0.0079	0.3562
Echinococcus granulosus	somatostatin receptor	0.0086	0.0079	0.0735
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	0.0328	0.0467	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0175	0.0223	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0176	0.0223	1
Schistosoma mansoni	hypothetical protein	0.0086	0.0079	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0079	0.2415
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0086	0.0079	0.0735

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.07 nM	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain devoid of cerebellum	ChEMBL.	23623711
Ki (binding)	= 7.37 nM	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum	ChEMBL.	23623711
Ki (binding)	= 77.8 nM	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain devoid of cerebellum	ChEMBL.	23623711

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: CHEMBL2387736

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1779352