TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 709.359 | Formula: C34H49ClN4O6S2
H donors: 5 H acceptors: 5 LogP: 4.78 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)[C@H]1NC(=O)C(CCCNC(=O)[C@H](C(SSC1(C)C)(C)C)NC(=O)[C@H](Cc1c(C)cc(cc1C)O)N)Cc1ccccc1.Cl
InChi: 1S/C34H48N4O6S2.ClH/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4;/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40);1H/t23?,26-,27+,28+;/m0./s1
InChiKey: XHHWHCNEMZJPMI-KLYMVBEHSA-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
Rattus norvegicus	Delta opioid receptor	Starlite/ChEMBL	References
Rattus norvegicus	Mu opioid receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Get druggable targets OG5_139759	All targets in OG5_139759
Echinococcus granulosus	tm gpcr rhodopsin	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 mansoni	neuropeptide F-like receptor	Mu opioid receptor	398 aa	335 aa	20.6 %
Onchocerca volvulus		Delta opioid receptor	372 aa	344 aa	22.1 %
Echinococcus multilocularis	allatostatin A receptor	Delta opioid receptor	372 aa	302 aa	28.5 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Delta opioid receptor	372 aa	353 aa	29.2 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	Mu opioid receptor	398 aa	323 aa	24.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Delta opioid receptor	372 aa	330 aa	24.5 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Mu opioid receptor	398 aa	397 aa	22.7 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Delta opioid receptor	372 aa	366 aa	22.7 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Delta opioid receptor	372 aa	320 aa	25.6 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Delta opioid receptor	372 aa	315 aa	28.6 %
Echinococcus granulosus	allatostatin A receptor	Delta opioid receptor	372 aa	302 aa	27.8 %
Schistosoma japonicum	Rhodopsin, putative	Mu opioid receptor	398 aa	328 aa	23.2 %
Brugia malayi	GnHR receptor homolog	Delta opioid receptor	372 aa	313 aa	18.5 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Delta opioid receptor	372 aa	330 aa	24.2 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Mu opioid receptor	398 aa	334 aa	23.1 %
Loa Loa (eye worm)	neuropeptide F receptor	Delta opioid receptor	372 aa	317 aa	23.3 %
Onchocerca volvulus		Delta opioid receptor	372 aa	353 aa	21.0 %
Onchocerca volvulus		Delta opioid receptor	372 aa	386 aa	22.8 %
Onchocerca volvulus		Delta opioid receptor	372 aa	349 aa	22.1 %
Onchocerca volvulus		Delta opioid receptor	372 aa	316 aa	26.9 %
Brugia malayi	ORL1-like opioid receptor	Delta opioid receptor	372 aa	300 aa	24.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	cytochrome b	0.0063	0.0792	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0044	0.0127
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0026	0.0049
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0044	0.0127
Mycobacterium tuberculosis	Isocitrate lyase Icl (isocitrase) (isocitratase)	0.0246	0.3406	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0044	0.0127
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0044	0.0044
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0425	1
Schistosoma mansoni	hypothetical protein	0.0419	0.5885	0.5885
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0014	0.0093	0.0344
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0425	0.0425
Brugia malayi	steroid hormone receptor	0.001	0.0044	0.0127
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0425	0.181
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0425	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0625	0.2695
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0171	0.2354
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0425	1
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0167	0.2277	0.2277
Schistosoma mansoni	cpg binding protein	0.0031	0.034	0.034
Schistosoma mansoni	alpha-glucosidase	0.0144	0.1949	0.1949
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0425	0.4801
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0344
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0171	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0171	0.0171
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0785	0.0785
Schistosoma mansoni	hypothetical protein	0.0087	0.1133	0.1133
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0015	0.0015
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0425	1
Plasmodium vivax	cytochrome b	0.0063	0.0792	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0044	0.0127
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0425	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0316	0.133
Echinococcus granulosus	smad	0.0008	0.0015	0.0015
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0785	0.1897
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0044	0.0127
Wolbachia endosymbiont of Brugia malayi	cytochrome b subunit of the bc complex	0.0063	0.0792	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0015	0.0015
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0167	0.2277	0.2277
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0024	0.0041
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0044	0.0044
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0044	0.0044
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0044	0.0044
Echinococcus multilocularis	dnaJ subfamily B	0.0419	0.5885	0.5885
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1644	0.7187
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0785	0.0785
Schistosoma mansoni	hypothetical protein	0.0016	0.0126	0.0126
Brugia malayi	ecdysteroid receptor	0.001	0.0044	0.0127
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0044	0.0044
Trypanosoma brucei	glucosidase, putative	0.0037	0.0425	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0126	0.0126
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0171	0.5
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0171	0.113
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0044	0.0044
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0044	0.0044
Schistosoma mansoni	alpha-glucosidase	0.0144	0.1949	0.1949
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0425	0.0425
Echinococcus granulosus	lysosomal alpha glucosidase	0.0167	0.2281	0.2281
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0044	0.0044
Schistosoma mansoni	alpha glucosidase	0.0037	0.0425	0.0425
Schistosoma mansoni	alkaline phosphatase	0.0167	0.2277	0.2277
Mycobacterium ulcerans	isocitrate lyase AceAb	0.0246	0.3406	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0044	0.0044
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0631	0.8901	0.8901
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0785	0.1897
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0044	0.0044
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0126	0.0494
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0044	0.0044
Loa Loa (eye worm)	cytochrome b	0.0063	0.0792	0.3429
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0171	0.2354
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0044	0.0044
Schistosoma mansoni	ap endonuclease	0.0019	0.0171	0.0171
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0785	0.0785
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0044	0.0127
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0044	0.0044
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0026
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0044	0.0044
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0167	0.2281	1
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0167	0.2277	0.2277
Echinococcus granulosus	Smad4	0.0008	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0625	0.2695
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0425	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0425	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0395	0.1676
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Schistosoma mansoni	cpg binding protein	0.0031	0.034	0.034
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0044	0.0044
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0044	0.0044
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0015	0.0015
Brugia malayi	MH2 domain containing protein	0.0122	0.1644	0.7187
Echinococcus multilocularis	smad	0.0008	0.0015	0.0015
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0044	0.0044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0044	0.0127
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0044	0.0127
Echinococcus multilocularis	Smad4	0.0008	0.0015	0.0015
Brugia malayi	nuclear receptor NHR-88	0.001	0.0044	0.0127
Brugia malayi	cytochrome b	0.0063	0.0792	0.3429
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0171	0.0689
Schistosoma mansoni	coup transcription factor	0.001	0.0044	0.0044
Schistosoma mansoni	smad	0.0008	0.0015	0.0015
Plasmodium falciparum	cytochrome b	0.0063	0.0792	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0044	0.0127
Schistosoma mansoni	microtubule-associated protein tau	0.0708	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0044	0.0127
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0167	0.2281	0.2281
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1644	0.7187
Schistosoma mansoni	cpg binding protein	0.0029	0.0316	0.0316
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0044	0.0127
Schistosoma mansoni	hypothetical protein	0.0035	0.0395	0.0395
Onchocerca volvulus		0.0029	0.0316	0.2213
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0785	0.1897
Schistosoma mansoni	cytochrome b	0.0063	0.0792	0.0792
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0044	0.0127
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0015	0.0015
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0167	0.2277	0.2277
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0425	1
Echinococcus granulosus	alkaline phosphatase	0.0167	0.2277	0.2277
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0044	0.0044
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0425	0.181
Schistosoma mansoni	Smad4	0.0008	0.0015	0.0015
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0788	0.0788
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0425	0.409
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0171	0.2354
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0167	0.2281	0.2281
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0167	0.2277	0.2277
Schistosoma mansoni	cytochrome b	0.0063	0.0792	0.0792
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0126	0.0494
Schistosoma mansoni	hypothetical protein	0.0016	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0044	0.0127
Echinococcus granulosus	GPCR family 2	0.0016	0.0126	0.0126
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0785	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0785	0.9883
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0044	0.0127
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0026
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0126	0.0126
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0625	0.2695
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0044	0.0127
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0126	0.0494
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0044	0.0044
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0126	0.0126
Schistosoma mansoni	hypothetical protein	0.0016	0.0126	0.0126
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0425	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0044	0.0127
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0044	0.0044
Brugia malayi	nuclear hormone receptor	0.001	0.0044	0.0127
Echinococcus multilocularis	cpg binding protein	0.0031	0.034	0.034
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0044	0.0127
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0167	0.2281	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0044	0.0044
Echinococcus multilocularis	microtubule associated protein 2	0.0708	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0692	0.8395
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0044	0.0044
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0044	0.0044
Echinococcus granulosus	cytochrome B	0.0063	0.0792	0.0792
Schistosoma mansoni	ap endonuclease	0.0019	0.0171	0.0171
Echinococcus granulosus	tm gpcr rhodopsin	0.0631	0.8901	0.8901
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0015	0.0015
Echinococcus granulosus	dnaJ subfamily B	0.0419	0.5885	0.5885
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0126	0.0126
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0785	0.1897
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0044	0.0044
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0395	0.1676
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0171	0.0689
Mycobacterium ulcerans	isocitrate lyase Icl	0.0246	0.3406	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0044	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0044	0.0127
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0044	0.0127
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0044	0.0044
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0044	0.0044
Echinococcus granulosus	cpg binding protein	0.0031	0.034	0.034
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0316	0.133
Schistosoma mansoni	hypothetical protein	0.0016	0.0126	0.0126
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0425	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0171	0.0171
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0171	0.2354
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0044	0.0127
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0014	0.0093	0.0399
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0044	0.0044
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0425	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0015	0.0015
Echinococcus multilocularis	alkaline phosphatase	0.0167	0.2277	0.2277
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0167	0.2277	0.2277
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0044	0.0044
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0785	0.0785
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0044	0.0044
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0126	0.0126
Schistosoma mansoni	alkaline phosphatase	0.0167	0.2277	0.2277
Mycobacterium tuberculosis	Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl)	0.0246	0.3406	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0171	0.2354
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0044	0.0127
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0425	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0015	0.0015
Onchocerca volvulus		0.0097	0.1275	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0171	0.2354
Loa Loa (eye worm)	hypothetical protein	0.001	0.0044	0.0127
Mycobacterium tuberculosis	Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl)	0.0246	0.3406	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0625	0.2695
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0044	0.0127
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0425	1
Toxoplasma gondii	apocytochrome b, putative	0.0063	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0126	0.0494
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0044	0.0127
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0044	0.0127
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0015	0.0015
Mycobacterium leprae	PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL)	0.0246	0.3406	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 1000 nM	Concentration of the Compound that inhibits electrically-induced contractions of the mouse vas deferens by 50%	ChEMBL.	1323677
Ki (binding)	= 11 nM	Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay	ChEMBL.	1323677
Ki (binding)	= 21 nM	Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay	ChEMBL.	1323677
Ki (binding)	= 79 nM	Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay	ChEMBL.	1323677
Ki (binding)	= 176 nM	Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay	ChEMBL.	1323677
Ratio (binding)	= 0.5	Ratio of the compound on opioid receptor mu (ki(nM)) to the opioid receptor delta (Ki(nM))	ChEMBL.	1323677
Ratio (binding)	= 2.3	Ratio of the compound on opioid receptor mu (ki(nM)) to the opioid receptor delta (Ki(nM))	ChEMBL.	1323677

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	1323677

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL553149

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1049465