Detailed information for compound 1639590

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-JCUACHPISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, mu 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 94 % 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
EC50 (functional) = 1370 nM Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as [35S]GTP-gamma-S binding after 3 hrs by liquid scintillation counting ChEMBL. 22464684
Emax (functional) = 105 % Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as [35S]GTP-gamma-S binding after 3 hrs by liquid scintillation counting relative to (-)U50488 ChEMBL. 22464684
Ki (binding) = 30 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) = 2600 nM Displacement of [3H]DAMGO from human recombinant mu 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

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

Bibliographic References

1 literature reference was collected for this gene.

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