TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 458.501 | Formula: C25H30O8
H donors: 0 H acceptors: 4 LogP: 3.16 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)/C=C/c1cocc1
InChi: 1S/C25H30O8/c1-14(26)32-19-11-18(22(28)30-4)24(2)9-7-17-23(29)33-16(6-5-15-8-10-31-13-15)12-25(17,3)21(24)20(19)27/h5-6,8,10,13,16-19,21H,7,9,11-12H2,1-4H3/b6-5+/t16-,17+,18+,19+,21+,24+,25+/m1/s1
InChiKey: VALYNDJYCKKKGR-IKBVEHCSSA-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
Homo sapiens	opioid receptor, delta 1	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, mu 1	Starlite/ChEMBL	References
Homo sapiens	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0653	0.0858	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0401	0.0404	0.0038
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0644	0.0841	0.082
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0211	0.0063	0.0061
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.5739	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0381	0.0368	0.0346
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1541	0.2454	0.2454
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2005	0.3288	0.3252
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0211	0.0063	0.004
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2005	0.3288	0.3286
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1953	0.3195	0.2935
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3431	0.585	0.585
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.1115	0.1688	0.166
Brugia malayi	metabotropic glutamate receptor type 2	0.0633	0.0822	0.082
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0576	0.0719	0.0717
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.5739	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1953	0.3195	0.3195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5739	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4574	0.7905	0.7905
Loa Loa (eye worm)	hypothetical protein	0.1161	0.177	0.1752
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0401	0.0404	0.0383
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2005	0.3288	0.3031
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0381	0.0368	0.0334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1104	0.1668	0.1668
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0401	0.0404	0.0353
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0653	0.0858	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2005	0.3288	0.3031
Leishmania major	hypothetical protein, conserved	0.0474	0.0535	0.0174
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.1104	0.1668	0.1624
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2005	0.3288	0.3273
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0381	0.0368	0.0366
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1104	0.1668	0.135
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0381	0.0368	0.0346
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0753	0.1037	0.1017
Entamoeba histolytica	protein kinase rad3, putative	0.1104	0.1668	0.164
Schistosoma mansoni	metabotropic glutamate receptor	0.0633	0.0822	0.0773
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0381	0.0368	0.0368
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0381	0.0368	0.0368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4574	0.7905	0.7905
Entamoeba histolytica	hypothetical protein	0.1104	0.1668	0.164
Loa Loa (eye worm)	hypothetical protein	0.0849	0.121	0.119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3119	0.529	0.529
Loa Loa (eye worm)	hypothetical protein	0.0381	0.0368	0.0346
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0505	0.0591	0.057
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.5739	1	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0381	0.0368	0.0346
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Loa Loa (eye worm)	phosphatidylinositol 3	0.0712	0.0963	0.0943
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0576	0.0719	0.0687
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3413	0.5818	0.5818
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0401	0.0404	0.0404
Onchocerca volvulus		0.0381	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.0063	0.004
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0282	0.026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3114	0.5281	0.5281
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.121	0.121
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0653	0.0858	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3431	0.585	0.585
Schistosoma mansoni	fkbp-rapamycin associated protein	0.1104	0.1668	0.1624
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0472	0.0531	0.017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1104	0.1668	0.1668
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0442	0.0478	0.0478
Trypanosoma cruzi	target of rapamycin kinase 3	0.4578	0.7913	0.7834
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0724	0.0984	0.0984
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0513	0.0605	0.0605
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5739	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0513	0.0605	0.0605
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1964	0.3215	0.2956
Trichomonas vaginalis	PIKK family atypical protein kinase	0.489	0.8474	0.8474
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0442	0.0478	0.0478
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0464	0.0517	0.0485
Entamoeba histolytica	hypothetical protein	0.0381	0.0368	0.0334
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.2707	0.4549	0.4341
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0505	0.0591	0.0589
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0401	0.0404	0.0038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4574	0.7905	0.7905
Trichomonas vaginalis	conserved hypothetical protein	0.0724	0.0984	0.0984
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0653	0.0858	0.5
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0401	0.0404	0.0038
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0401	0.0404	0.0404
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.1177	0.1799	0.1798
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0401	0.0404	0.0743
Trichomonas vaginalis	conserved hypothetical protein	0.123	0.1894	0.1894
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3119	0.529	0.529
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0849	0.121	0.119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.5739	1	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.0401	0.0404	0.0383
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0576	0.0719	0.0364
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0505	0.0591	0.057
Loa Loa (eye worm)	phosphatidylinositol 3	0.1964	0.3215	0.3199
Onchocerca volvulus		0.0381	0.0368	1
Echinococcus multilocularis	serine protein kinase ATM	0.1104	0.1668	0.165
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0381	0.0368	0.0346
Echinococcus granulosus	serine protein kinase ATM	0.1104	0.1668	0.165
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4574	0.7905	0.7905
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3119	0.529	0.529
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0442	0.0478	0.0427
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0576	0.0719	0.0719
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0442	0.0478	0.0114
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.1599	0.2559	0.2542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0381	0.0368	0.0368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3413	0.5818	0.5818
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0849	0.121	0.119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3725	0.6379	0.6379
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.1477	0.2339	0.2298
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0401	0.0404	0.0038
Brugia malayi	Receptor family ligand binding region containing protein	0.0333	0.0282	0.028
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0442	0.0478	0.0445
Schistosoma mansoni	metabotropic glutamate receptor	0.1088	0.164	0.1595
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1953	0.3195	0.2935
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0333	0.0282	0.026
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0653	0.0858	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1964	0.3215	0.3215
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0634	0.0822	0.0802
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.123	0.1894	0.2178
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.5739	1	1
Giardia lamblia	GTOR	0.5739	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0576	0.0719	0.0719
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0401	0.0404	0.0383
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.2395	0.3989	0.3759
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0653	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.1104	0.1668	0.165
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0442	0.0478	0.0476
Loa Loa (eye worm)	glutamate receptor	0.1299	0.2019	0.2001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1953	0.3195	0.3195
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0576	0.0719	0.0719
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0401	0.0404	0.0402
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.5739	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0442	0.0478	0.0445
Echinococcus granulosus	metabotropic glutamate receptor 2	0.1088	0.164	0.1621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5739	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1953	0.3195	0.3195
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0535	0.0645	0.0612
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0401	0.0404	0.0038
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0401	0.0404	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1115	0.1688	0.1688
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0653	0.0858	0.5
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0333	0.0282	0.026
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0753	0.1037	0.0989
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0644	0.0841	0.082
Schistosoma mansoni	hypothetical protein	0.0381	0.0368	0.0316
Echinococcus granulosus	GPCR family 3 C terminal	0.0211	0.0063	0.004
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0442	0.0478	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1104	0.1668	0.1667
Brugia malayi	FAT domain containing protein	0.0849	0.121	0.1208
Loa Loa (eye worm)	glutamate receptor	0.0511	0.0602	0.0581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1953	0.3195	0.3195
Entamoeba histolytica	hypothetical protein	0.0381	0.0368	0.0334
Mycobacterium leprae	conserved hypothetical protein	0.0381	0.0368	0.5
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0381	0.0368	0.0346
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.1104	0.1668	0.135
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1964	0.3215	0.2956
Toxoplasma gondii	FATC domain-containing protein	0.1104	0.1668	0.1856
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0401	0.0404	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3114	0.5281	0.5281
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.5739	1	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0401	0.0404	0.0743
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0381	0.0368	0.0316
Schistosoma mansoni	hypothetical protein	0.0849	0.121	0.1163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4574	0.7905	0.7905
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3119	0.529	0.529
Entamoeba histolytica	hypothetical protein	0.0381	0.0368	0.0334
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0188	0.0022	0.002
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.5739	1	1
Loa Loa (eye worm)	hypothetical protein	0.1599	0.2559	0.2542
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1104	0.1668	0.1667
Echinococcus multilocularis		0.0381	0.0368	0.0346
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0381	0.0368	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0724	0.0984	0.0964
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0401	0.0404	0.0371
Brugia malayi	Metabotropic glutamate receptor precursor.	0.1299	0.2019	0.2017
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0401	0.0404	0.0383
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0653	0.0858	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0634	0.0822	0.0802
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0422	0.0442	0.0077
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.5739	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.5739	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0381	0.0368	0.0316
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0381	0.0368	0.0366
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.4578	0.7913	0.7834
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.1104	0.1668	0.165
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0381	0.0368	0.0368
Loa Loa (eye worm)	phosphatidylinositol 3	0.0381	0.0368	0.0346
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.385	0.6604	0.6604
Schistosoma mansoni	hypothetical protein	0.0211	0.0063	0.0009
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.1104	0.1668	0.165
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3431	0.585	0.585
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0401	0.0404	0.0052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3114	0.5281	0.5281
Loa Loa (eye worm)	phosphatidylinositol 3	0.0381	0.0368	0.0346
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0381	0.0368	0.0346
Toxoplasma gondii	target of rapamycin (TOR), putative	0.428	0.7376	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0381	0.0368	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0505	0.0591	0.057
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0442	0.0478	0.0114
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.5739	1	1
Entamoeba histolytica	hypothetical protein	0.0535	0.0645	0.0612
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0401	0.0404	0.0404
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0576	0.0719	0.0364
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2005	0.3288	0.3273
Trichomonas vaginalis	PIKK family atypical protein kinase	0.428	0.7376	0.7376
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0401	0.0404	0.0383
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.1104	0.1668	0.135
Loa Loa (eye worm)	hypothetical protein	0.123	0.1894	0.1876
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0753	0.1037	0.1017
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0381	0.0368	0.0316
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.1088	0.164	0.1621
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0401	0.0404	0.0052
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0724	0.0984	0.064
Loa Loa (eye worm)	phosphatidylinositol 3	0.0381	0.0368	0.0346
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.4578	0.7913	0.7834
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.5739	1	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.1599	0.2559	0.2542

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 66 %	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells at 10 uM after 2 hrs by liquid scintillation counting	ChEMBL.	22464684
Activity (binding)	= 78 %	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells at 10 uM after 2 hrs by liquid scintillation counting	ChEMBL.	22464684
Ki (binding)	= 1120 nM	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting	ChEMBL.	22464684
Ki (binding)	> 10000 nM	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting	ChEMBL.	22464684
Ki (binding)	> 10000 nM	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting	ChEMBL.	22464684

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: CHEMBL2022017

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1641545