TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 513.584 | Formula: C30H31N3O5
H donors: 4 H acceptors: 5 LogP: 3.89 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1ncc2c(c1O)cccc2)N[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O
InChi: 1S/C30H31N3O5/c34-21-8-7-17-13-22-30(37)10-9-20(32-28(36)24-25(35)19-4-2-1-3-18(19)14-31-24)27-29(30,23(17)26(21)38-27)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,27,34-35,37H,5-6,9-13,15H2,(H,32,36)/t20-,22+,27-,29-,30+/m0/s1
InChiKey: ZPOAEHPRIWDCTN-STKWSZKVSA-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
Mus musculus	opioid receptor, delta 1	Starlite/ChEMBL	References
Mus musculus	opioid receptor, mu 1	Starlite/ChEMBL	References
Mus musculus	opioid receptor, kappa 1	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
Brugia malayi	hypothetical protein	opioid receptor, kappa 1	380 aa	323 aa	20.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0053	0.0122	0.0107
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Echinococcus multilocularis	histone deacetylase 3	0.0053	0.0121	0.0106
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0053	0.0121	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0053	0.0122	0.0138
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0053	0.0122	0.0122
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0053	0.0122	0.0138
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0053	0.0122	0.0857
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0053	0.0122	0.0066
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0053	0.0122	0.0066
Trypanosoma cruzi	hypothetical protein, conserved	0.01	0.0497	0.0959
Schistosoma mansoni	alpha-glucosidase	0.0141	0.0823	1
Entamoeba histolytica	histone deacetylase, putative	0.0053	0.0121	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0053	0.0122	0.0066
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0353	0.2514	0.2514
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0053	0.0122	0.0138
Onchocerca volvulus		0.0053	0.0122	0.0004
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0353	0.2514	0.4008
Onchocerca volvulus		0.01	0.0497	0.1573
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0053	0.0122	0.0107
Plasmodium falciparum	histone deacetylase, putative	0.0084	0.0367	1
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.01	0.0497	0.0959
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.1004	0.1996
Echinococcus multilocularis	histone deacetylase	0.0084	0.0367	0.0506
Brugia malayi	Cation transporter family protein	0.0053	0.0122	0.0066
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.1004	0.0953
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.01	0.0497	0.0719
Schistosoma mansoni	histone deacetylase 4 5	0.0084	0.0367	0.4047
Echinococcus granulosus	tm gpcr rhodopsin	0.0641	0.4803	1
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.01	0.0497	0.0959
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.01	0.0497	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0053	0.0122	0.0066
Trypanosoma cruzi	histone deacetylase, putative	0.0084	0.0367	0.0625
Loa Loa (eye worm)	choline O-acetyltransferase	0.01	0.0497	0.0497
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0053	0.0122	0.0066
Loa Loa (eye worm)	ACC-1 protein	0.0053	0.0122	0.0122
Onchocerca volvulus		0.0095	0.0455	0.1394
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.01	0.0497	0.0959
Schistosoma mansoni	choline o-acyltransferase	0.01	0.0497	0.5755
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0545	0.4044	1
Brugia malayi	Histone deacetylase family protein	0.0084	0.0367	0.0312
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0353	0.2514	0.5177
Brugia malayi	histone deacetylase 11	0.0053	0.0121	0.0065
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0053	0.0122	0.0107
Onchocerca volvulus		0.0053	0.0122	0.0004
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0545	0.4044	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0053	0.0122	0.0122
Echinococcus granulosus	glycine receptor subunit beta	0.0053	0.0122	0.0138
Schistosoma mansoni	histone deacetylase	0.0053	0.0121	0.0845
Echinococcus multilocularis	glycine receptor subunit beta	0.0053	0.0122	0.0107
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0815	0.6187	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0545	0.4044	0.6504
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0641	0.4803	0.7743
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0057	0.0057
Brugia malayi	Cation transporter family protein	0.0053	0.0122	0.0066
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.01	0.0497	1
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.01	0.0497	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Onchocerca volvulus		0.0053	0.0122	0.0004
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0053	0.0122	0.0107
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Echinococcus granulosus	histone deacetylase 6	0.0084	0.0367	0.0653
Trypanosoma cruzi	histone deacetylase, putative	0.0084	0.0367	0.0625
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0053	0.0122	0.0066
Onchocerca volvulus		0.0053	0.0122	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Schistosoma mansoni	histone deacetylase 1 2 3	0.0053	0.0121	0.0845
Loa Loa (eye worm)	histone deacetylase	0.0084	0.0367	0.0367
Trypanosoma cruzi	hypothetical protein, conserved	0.01	0.0497	0.0959
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0053	0.0121	0.5
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.01	0.0497	0.0497
Echinococcus multilocularis	glycine receptor subunit beta	0.0053	0.0122	0.0107
Plasmodium vivax	histone deacetylase 2, putative	0.0084	0.0367	1
Echinococcus multilocularis	nAChR subunit	0.0053	0.0122	0.0107
Echinococcus granulosus	histone deacetylase 6	0.0084	0.0367	0.0653
Brugia malayi	Choline O-acetyltransferase	0.01	0.0497	0.0443
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0053	0.0122	0.0857
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.01	0.0497	0.0959
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.1004	0.1004
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.1004	0.1546
Onchocerca volvulus		0.01	0.0497	0.1573
Loa Loa (eye worm)	hypothetical protein	0.1293	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0053	0.0122	0.0066
Echinococcus multilocularis	histone deacetylase 6	0.0084	0.0367	0.0506
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.01	0.0497	0.0959
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.1004	0.1546
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0053	0.0122	0.0857
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0353	0.2514	0.2471
Brugia malayi	Cation transporter family protein	0.0053	0.0122	0.0066
Trypanosoma cruzi	hypothetical protein, conserved	0.01	0.0497	0.0959
Echinococcus multilocularis	histone deacetylase 6	0.009	0.042	0.0593
Schistosoma mansoni	histone deacetylase hda2	0.009	0.042	0.4748
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.01	0.0497	0.0497
Trypanosoma brucei	hypothetical protein, conserved	0.01	0.0497	1
Onchocerca volvulus		0.0053	0.0122	0.0004
Echinococcus granulosus	histone deacetylase 6	0.009	0.042	0.0766
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0053	0.0122	0.0066
Brugia malayi	histone deacetylase 1 (HD1)	0.0053	0.0121	0.0065
Trichomonas vaginalis	histone deacetylase, putative	0.0053	0.0121	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0053	0.0122	0.0107
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0545	0.4044	1
Echinococcus granulosus	histone deacetylase 1	0.0053	0.0121	0.0136
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.01	0.0497	0.0959
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.01	0.0497	0.0443
Echinococcus multilocularis	histone deacetylase 6	0.0084	0.0367	0.0506
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0053	0.0122	0.0138
Plasmodium vivax	histone deacetylase, putative	0.0084	0.0367	1
Echinococcus granulosus	choline O acetyltransferase	0.01	0.0497	0.0929
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0053	0.0122	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0053	0.0122	0.0066
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0053	0.0122	0.0857
Leishmania major	carnitine palmitoyltransferase-like protein	0.01	0.0497	0.0959
Trichomonas vaginalis	histone deacetylase, putative	0.0053	0.0121	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0053	0.0122	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0353	0.2514	0.2514
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0545	0.4044	0.84
Loa Loa (eye worm)	ACC-1 protein	0.0053	0.0122	0.0122
Plasmodium falciparum	histone deacetylase 2	0.0084	0.0367	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Echinococcus multilocularis	histone deacetylase 7	0.0084	0.0367	0.0506
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0053	0.0122	0.0066
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0053	0.0122	0.0066
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0053	0.0122	0.0138
Leishmania major	histone deacetylase, putative	0.0084	0.0367	0.0625
Onchocerca volvulus		0.01	0.0497	0.1573
Loa Loa (eye worm)	LGC-31 protein	0.0053	0.0122	0.0122
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0053	0.0122	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Echinococcus granulosus	histone deacetylase 7	0.0084	0.0367	0.0653
Trypanosoma brucei	histone deacetylase 4	0.0084	0.0367	0.652
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Brugia malayi	excitatory GABA receptor EXP-1A	0.0053	0.0122	0.0066
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0053	0.0122	0.0066
Giardia lamblia	Histone deacetylase	0.0053	0.0121	0.5
Schistosoma mansoni	choline o-acyltransferase	0.01	0.0497	0.5755
Trypanosoma cruzi	histone deacetylase, putative	0.0084	0.0367	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0053	0.0122	0.0138
Brugia malayi	Choline O-acetyltransferase	0.01	0.0497	0.0443
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0053	0.0122	0.0066
Echinococcus granulosus	histone deacetylase 3	0.0053	0.0121	0.0136
Onchocerca volvulus	Putative nachr subunit	0.0353	0.2514	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0053	0.0122	0.0107
Trypanosoma cruzi	hypothetical protein, conserved	0.01	0.0497	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Leishmania major	histone deacetylase, putative	0.0084	0.0367	0.0625
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.01	0.0497	1
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.01	0.0497	1
Schistosoma mansoni	histone deacetylase 4 5	0.0084	0.0367	0.4047
Echinococcus granulosus	histone deacetylase 8	0.0053	0.0121	0.0136
Trichomonas vaginalis	histone deacetylase, putative	0.0053	0.0121	0.5
Brugia malayi	Histone deacetylase family protein	0.0084	0.0367	0.0312
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0353	0.2514	0.4008
Trypanosoma brucei	histone deacetylase 3	0.0084	0.0367	0.652
Schistosoma mansoni	alpha-glucosidase	0.0141	0.0823	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0353	0.2514	0.5177
Loa Loa (eye worm)	histone deacetylase 3	0.0053	0.0121	0.0121
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0053	0.0122	0.0107
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0053	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.01	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Schistosoma mansoni	histone deacetylase	0.0053	0.0121	0.0845
Echinococcus granulosus	nAChR subunit	0.0053	0.0122	0.0138
Trichomonas vaginalis	histone deacetylase, putative	0.0053	0.0121	0.5
Trichomonas vaginalis	histone deacetylase, putative	0.0053	0.0121	0.5
Onchocerca volvulus		0.01	0.0497	0.1573
Echinococcus granulosus	histone deacetylase	0.0084	0.0367	0.0653
Trichomonas vaginalis	histone deacetylase, putative	0.0053	0.0121	0.5
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0053	0.0122	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Trypanosoma brucei	histone deacetylase, putative	0.0084	0.0367	0.652
Trypanosoma cruzi	hypothetical protein, conserved	0.01	0.0497	0.0959
Schistosoma mansoni	histone deacetylase hda2	0.0053	0.0121	0.0845
Brugia malayi	histone deacetylase 3 (HD3)	0.0053	0.0121	0.0065
Loa Loa (eye worm)	histone deacetylase 7A	0.0084	0.0367	0.0367
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.01	0.0497	0.0443
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0053	0.0122	0.0857
Echinococcus multilocularis	choline O acetyltransferase	0.01	0.0497	0.0719
Schistosoma mansoni	nAChR subunit	0.0053	0.0122	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0121	0.0121
Echinococcus multilocularis	histone deacetylase 1	0.0053	0.0121	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0121	0.0121
Echinococcus multilocularis	histone deacetylase 8	0.0053	0.0121	0.0106
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0353	0.2514	0.4008
Brugia malayi	Histone deacetylase 1	0.0053	0.0121	0.0065
Onchocerca volvulus		0.0053	0.0122	0.0004
Loa Loa (eye worm)	histone deacetylase 1	0.0053	0.0121	0.0121
Echinococcus granulosus	glycine receptor subunit beta	0.0053	0.0122	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0053	0.0122	0.0066
Leishmania major	carnitine/choline acetyltransferase, putative	0.01	0.0497	0.0959
Loa Loa (eye worm)	histone deacetylase 11	0.0053	0.0121	0.0121
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0053	0.0122	0.0122
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0053	0.0121	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0353	0.2514	0.5177
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0122	0.0122
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0053	0.0122	0.0122
Toxoplasma gondii	histone deacetylase HDAC1	0.0084	0.0367	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 1.06 nM	Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs	ChEMBL.	23948248
EC50 (functional)	= 1.06 nM	Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay	ChEMBL.	25783191
Emax (functional)	= 20.5 %	Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs relative to DAMGO	ChEMBL.	23948248
Emax (functional)	= 20.5 %	Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay relative to DAMGO	ChEMBL.	25783191
Ki (binding)	= 0.45 nM	Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cells after 1.5 hrs	ChEMBL.	23948248
Ki (functional)	= 0.45 nM	Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay	ChEMBL.	25783191
Ki (binding)	= 4 nM	Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrs	ChEMBL.	23948248
Ki (functional)	= 4 nM	Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay	ChEMBL.	25783191
Ki (binding)	= 32.8 nM	Displacement of [3H]-naltrindole from mouse delta opioid receptor expressed in CHO cells after 1.5 hrs	ChEMBL.	23948248
Ki (functional)	= 32.8 nM	Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay	ChEMBL.	25783191
MPE (functional)	< 20 %	Antinociceptive activity in Swiss-Webster mouse at 10 mg/kg, sc after 20 mins by warm water tail-flick test relative to control	ChEMBL.	25783191

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: CHEMBL2417568

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1767466