Detailed information for compound 422682

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 819.079 | Formula: C51H66N2O7
  • H donors: 1 H acceptors: 4 LogP: 9.46 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Oc1ccc2c(c1)[C@]13CCCCC3[C@@H](C2)N(CC1)CC1CCC1)CCCCCCCCC(=O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)CC1CC1
  • InChi: 1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
  • InChiKey: VOTCBKOYCAMWBJ-CELWHGEPSA-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, mu 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL References
Homo sapiens 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 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0175 0.3173
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.004 0.0364 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0112 0.0028
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0175 0.3226
Echinococcus multilocularis dna polymerase kappa 0.005 0.0522 0.0441
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.004 0.0364 1
Brugia malayi ecdysteroid receptor 0.0024 0.0112 0.0139
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1013 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0112 0.0028
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0026 0.0129 0.048
Echinococcus granulosus dna polymerase kappa 0.005 0.0522 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0112 0.0139
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0153 0.2191 0.2124
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0112 0.0434
Echinococcus multilocularis vacuolar ATP synthase subunit b 0.004 0.0368 0.0286
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0522 0.4715
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.004 0.0364 0.0281
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1013 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0112 0.0139
Schistosoma mansoni hypothetical protein 0.0153 0.2191 0.8464
Brugia malayi Melibiase family protein 0.0083 0.1058 0.4894
Leishmania major vacuolar ATP synthase subunit b, putative 0.004 0.0368 0.3056
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0112 0.0028
Leishmania major DNA polymerase kappa, putative 0.0026 0.0129 0.048
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0083 0.1058 0.4088
Trypanosoma brucei unspecified product 0.0042 0.0393 0.3619
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0033 0.0249 0.2138
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0083 0.1058 0.4088
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0112 0.0028
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.004 0.0364 0.2031
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0112 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0522 0.4715
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0112 0.0139
Trichomonas vaginalis ATP synthase, putative 0.004 0.0368 0.2915
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.1729 0.1659
Leishmania major ATPase alpha subunit 0.0033 0.0249 0.1767
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1729 0.6681
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0175 0.3173
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1013 0.0936
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0112 0.0028
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0112 0.0028
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0112 0.0139
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0393 0.3619
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.0522 0.4953
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0326 0.2934
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0112 0.0139
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0112 0.0028
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1013 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0112 0.0028
Echinococcus multilocularis ATPase, H+ transporting, lysosomal accessory 0.0145 0.2073 0.2006
Treponema pallidum V-type ATP synthase subunit B 0.004 0.0368 1
Schistosoma mansoni coup transcription factor 0.0024 0.0112 0.0434
Mycobacterium ulcerans DNA polymerase IV 0.005 0.0522 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Schistosoma mansoni ap endonuclease 0.0023 0.0085 0.0327
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Loa Loa (eye worm) hypothetical protein 0.0145 0.2073 1
Brugia malayi nuclear receptor NHR-88 0.0024 0.0112 0.0139
Schistosoma mansoni ap endonuclease 0.0023 0.0085 0.0327
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Echinococcus multilocularis thyroid hormone receptor alpha 0.0177 0.2588 0.2525
Trypanosoma cruzi Vacuolar proton pump subunit B, putative 0.004 0.0368 0.3056
Entamoeba histolytica V-type ATPase, B subunit, putative 0.004 0.0368 0.3056
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0112 0.0434
Trypanosoma cruzi V-type proton ATPase subunit B, putative 0.004 0.0368 0.3056
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1013 0.0936
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0112 0.0434
Echinococcus multilocularis L aminoadipate semialdehyde 0.0101 0.135 0.1276
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0112 0.0139
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1013 1
Treponema pallidum V-type ATP synthase subunit B 0.004 0.0368 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0112 0.0434
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Entamoeba histolytica hypothetical protein 0.0028 0.0175 0.097
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0112 0.0139
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1729 0.6681
Plasmodium falciparum V-type proton ATPase subunit B 0.004 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1058 0.4894
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0033 0.0249 0.2138
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0112 0.0139
Schistosoma mansoni ATP synthase subunit beta vacuolar 0.004 0.0368 0.1424
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0112 0.0139
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.004 0.0364 1
Mycobacterium ulcerans DNA polymerase IV 0.005 0.0522 1
Trypanosoma brucei Vacuolar proton pump subunit B, putative 0.004 0.0368 0.3369
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0112 0.0139
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0522 0.4715
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0112 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0326 0.2934
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0466 0.0385
Brugia malayi polk-prov protein 0.0038 0.0326 0.1214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0112 0.0139
Loa Loa (eye worm) hypothetical protein 0.0101 0.135 0.6362
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0466 0.0385
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0112 0.0434
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.004 0.0364 0.6373
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0112 0.0139
Echinococcus granulosus ATPase H transporting lysosomal accessory 0.0145 0.2073 0.2006
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1729 0.6681
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.004 0.0364 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1013 0.4668
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0101 0.135 0.5216
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0175 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0112 0.0028
Brugia malayi steroid hormone receptor 0.0024 0.0112 0.0139
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0112 0.0434
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0634 1 1
Giardia lamblia DINP protein human, muc B family 0.0026 0.0129 0.157
Loa Loa (eye worm) vacuolar ATP synthase subunit B 0.004 0.0368 0.1427
Toxoplasma gondii vacuolar ATP synthase subunit b, putative 0.004 0.0368 0.2131
Schistosoma mansoni thyroid hormone receptor 0.0177 0.2588 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0129 0.0909
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0112 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0112 0.0139
Echinococcus granulosus L aminoadipate semialdehyde 0.0101 0.135 0.1276
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0112 0.0139
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0112 0.0028
Brugia malayi vacuolar ATP synthase subunit B 0.004 0.0368 0.1427
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Schistosoma mansoni thyroid hormone receptor 0.0177 0.2588 1
Plasmodium falciparum ATP synthase F1, alpha subunit 0.004 0.0364 0.9833
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0175 0.097
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0112 0.0434
Loa Loa (eye worm) hypothetical protein 0.0038 0.0326 0.1214
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0112 0.0139
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0112 0.0139
Leishmania major ATPase alpha subunit 0.0033 0.0249 0.1767
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0101 0.135 0.6362
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0112 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0112 0.0028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0112 0.0028
Onchocerca volvulus 0.0101 0.135 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0083 0.1058 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.1729 0.1659
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0175 0.2056
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0112 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0112 0.0139
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.004 0.0364 0.1405
Trichomonas vaginalis DNA polymerase eta, putative 0.005 0.0522 0.4497
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0085 0.0451
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0112 0.0028
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0112 0.0434
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1013 0.3914
Plasmodium vivax vacuolar ATP synthase subunit b, putative 0.004 0.0368 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0175 0.1011
Chlamydia trachomatis V-type ATP synthase subunit B 0.004 0.0368 1
Echinococcus granulosus vacuolar ATP synthase subunit b 0.004 0.0368 0.0286
Toxoplasma gondii exonuclease III APE 0.0023 0.0085 0.049
Toxoplasma gondii melibiase subfamily protein 0.0124 0.1729 1
Brugia malayi hypothetical protein 0.0145 0.2073 1
Trichomonas vaginalis ATP synthase alpha subunit mitochondrial, putative 0.004 0.0368 0.2915
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0522 0.4953
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.1729 0.1659
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0112 0.0434
Brugia malayi nuclear hormone receptor 0.0024 0.0112 0.0139
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0112 0.0139
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0175 0.1377
Giardia lamblia Vacuolar ATP synthase subunit B 0.004 0.0368 1
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.004 0.0364 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0175 0.3173
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1013 1
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.0522 0.4953
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.004 0.0364 0.0281
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0112 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0112 0.0139
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0112 0.0434
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0112 0.0028
Plasmodium vivax ATP synthase alpha chain, putative 0.004 0.0364 0.9833
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1013 0.4668
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0139
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0175 0.3226
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0112 0.0028
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0153 0.2191 0.2124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0112 0.0139
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.005 0.0522 0.4497
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0026 0.0129 0.1596
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0175 0.2056
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1729 0.6681
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0522 0.4715
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.004 0.0364 0.1403

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antagonist activity at human opioid kappa receptor expressed in CHO cells assessed as maximal inhibition of U-50488-stimulated [35S]GTPgammaS binding ChEMBL. 17407276
Activity (functional) 0 Antagonist activity at human opioid kappa receptor expressed in CHO cells assessed as inhibition of U-50488-stimulated [35S]GTPgammaS binding ChEMBL. 17407276
EC50 (functional) = 3.4 nM Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
EC50 (functional) = 3.4 nM Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
EC50 (functional) = 4.4 nM Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
EC50 (functional) = 4.4 nM Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
Emax (functional) = 43 % Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
Emax (functional) = 43 % Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
Emax (functional) = 76 % Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
Emax (functional) = 76 % Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTPgammaS binding ChEMBL. 17407276
IC50 (functional) = 160 nM Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding ChEMBL. 17407276
IC50 (functional) = 160 nM Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding ChEMBL. 17407276
Imax (functional) = 50 % Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as maximal inhibition of DAGO-stimulated [35S]GTPgammaS binding ChEMBL. 17407276
Imax (functional) = 50 % Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as maximal inhibition of DAGO-stimulated [35S]GTPgammaS binding ChEMBL. 17407276
Ki (binding) = 0.12 nM Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells ChEMBL. 17407276
Ki (binding) = 0.12 nM Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells ChEMBL. 17407276
Ki (binding) = 0.29 nM Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells ChEMBL. 17407276
Ki (binding) = 0.29 nM Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells ChEMBL. 17407276
Ki (binding) = 15 nM Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells ChEMBL. 17407276
Ki (binding) = 15 nM Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells ChEMBL. 17407276
Ratio Ki (binding) = 2 Ratio of Ki for human opioid kappa receptor to Ki for human opioid gamma receptor ChEMBL. 17407276
Ratio Ki (binding) = 125 Ratio of Ki for human opioid kappa receptor to Ki for human opioid delta receptor ChEMBL. 17407276

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.

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