oliceridine [Ligand Id: 7334] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2443262 (Oliceridina, Oliceridine, Olinvyk, Olynvik, TRV-130, TRV130) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CYP1A2/Cytochrome P450 1A2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075125] [GtoPdb: 1319] [UniProtKB: P04799] | ||||||||
| ChEMBL | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes | B | 4.3 | pIC50 | >50000 | nM | IC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
| CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261] | ||||||||
| ChEMBL | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes | B | 4.3 | pIC50 | >50000 | nM | IC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
| CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
| ChEMBL | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes | B | 4.3 | pIC50 | >50000 | nM | IC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
| CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
| ChEMBL | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes | B | 5.34 | pIC50 | 4600 | nM | IC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
| CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| ChEMBL | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes | B | 4.87 | pIC50 | 13600 | nM | IC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
| D2 receptor/D(2) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by MicroBeta scintillation counting method | B | 4.08 | pKi | 83200 | nM | Ki | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| D3 receptor/D(3) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Displacement of [3H]N-methylspiperone from human D3R receptor expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by MicroBeta scintillation counting method | B | 5.16 | pKi | 6860 | nM | Ki | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| δ receptor/Delta-type opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] | ||||||||
| ChEMBL | Agonist activity at human delta opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay | F | 5 | pEC50 | >10000 | nM | EC50 | Eur J Med Chem (2022) 228: 113986-113986 [PMID:34802839] |
| ChEMBL | Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay | F | 5.55 | pEC50 | 2800 | nM | EC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| κ receptor/Kappa-type opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
| ChEMBL | Agonist activity at human kappa opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay | F | 5 | pEC50 | >10000 | nM | EC50 | Eur J Med Chem (2022) 228: 113986-113986 [PMID:34802839] |
| ChEMBL | Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay | F | 5.85 | pEC50 | 1400 | nM | EC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| μ receptor/Mu-type opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
| ChEMBL | Radioligand Binding Assay: Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in μOR containing Sf9 insect cell membranes. The reaction contained 40 fmol of μOR and was incubated in a buffer of 20 mM HEPES pH 7.5, 100 mM sodium chloride, and 0.1% bovine serum albumin for 1 hour at 25° C. To separate free from bound radioligand, reactions were rapidly filtered over Whatman GF/B filters with the aid of a Brandel harvester and 3H-DPN counts were measured by liquid scintillation. Compounds with more than 25% of 3H-DPN radioactivity were further tested in full dose-response to determine the affinity (Ki) in HEK293 membranes. Subsequently, the 15 analogs were tested in full dose-response for affinity at the μOR and the κOR by the National Institutes of Mental Health Psychoactive Drug Screen Program (PDSP), as were the affinities of compounds 12, PZM21, and their stereoisomers at the μOR, δOR, κOR and nociception receptor. | B | 7.57 | pKi | 27 | nM | Ki | US-11484525-B2. Mu opioid receptor modulators (2022) |
| ChEMBL | Binding affinity to human mu opioid receptor by radio-ligand binding assay | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| ChEMBL | Displacement of [3H]-DAMGO from human MOR receptor expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by MicroBeta scintillation counting method | B | 8.36 | pKi | 4.38 | nM | Ki | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| ChEMBL | Displacement of [3H]-Diprenorphine from human mu opiod receptor expressed in CHO cells incubated for 1 hr by competition binding assay | B | 8.84 | pKi | 1.46 | nM | Ki | Eur J Med Chem (2022) 228: 113986-113986 [PMID:34802839] |
| ChEMBL | Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as beta-arrestin recruitment by chemiluminescence assay | B | 7.3 | pEC50 | 50.12 | nM | EC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| ChEMBL | Agonist activity at mu opioid receptor (unknown origin) assessed as beta arrestin-2 recruitment incubated for 3 days by PathHunter assay | F | 7.92 | pEC50 | 12 | nM | EC50 | Eur J Med Chem (2022) 228: 113986-113986 [PMID:34802839] |
| ChEMBL | Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay | F | 8.1 | pEC50 | 8 | nM | EC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| ChEMBL | Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay | F | 8.1 | pEC50 | 7.94 | nM | EC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| ChEMBL | Agonist activity at human mu opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay | F | 8.17 | pEC50 | 6.7 | nM | EC50 | Eur J Med Chem (2022) 228: 113986-113986 [PMID:34802839] |
| ChEMBL | Detection of MOR cAMP Agonist Activity: The experiment was performed using a cAMP detection kit from Cisbio (Cisbio #62AM4PEJ). | B | 8.52 | pEC50 | 3 | nM | EC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
| ChEMBL | Agonist activity at mu opioid receptor (unknown origin) assessed as increase in cAMP level incubated for 40 mins by spectrophotometry | F | 8.74 | pEC50 | 1.8 | nM | EC50 | Eur J Med Chem (2022) 228: 113986-113986 [PMID:34802839] |
| μ receptor/Mu-type opioid receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2858] [GtoPdb: 319] [UniProtKB: P42866] | ||||||||
| ChEMBL | Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells assessed as Nb33 recruitment using coelenterazine as substrate incubated for 40 mins by BRET assay | F | 7.23 | pEC50 | 58.88 | nM | EC50 | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| ChEMBL | Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells assessed as Nb33 recruitment using coelenterazine as substrate incubated for 40 mins by BRET assay | F | 7.23 | pEC50 | 58.5 | nM | EC50 | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| ChEMBL | Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells coexpressing wild type GRK2 assessed as arrestin-3 recruitment using coelenterazine as substrate incubated for 40 mins by BRET assay | F | 7.49 | pEC50 | 32.5 | nM | EC50 | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| ChEMBL | Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells coexpressing wild type GRK2 assessed as arrestin-3 recruitment using coelenterazine as substrate incubated for 40 mins by BRET assay | F | 7.49 | pEC50 | 32.36 | nM | EC50 | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| ChEMBL | Partial agonist activity at SNAP-tagged mouse MOR transfected in HEK293T cells coexpressing wild type Galpha-i2, venus-tagged Gbeta-1 (156 to 239 residues), venus-tagged Ggamma2 (1 to 155 residues) and Rluc8 fused masGRK3ct assessed as Galpha-i2 activation using coelenterazine as substrate incubated for 40 mins by BRET based GPA assay | F | 8.62 | pEC50 | 2.4 | nM | EC50 | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| ChEMBL | Partial agonist activity at SNAP-tagged mouse MOR transfected in HEK293T cells coexpressing wild type Galpha-i2, venus-tagged Gbeta-1 (156 to 239 residues), venus-tagged Ggamma2 (1 to 155 residues) and Rluc8 fused masGRK3ct assessed as Galpha-i2 activation using coelenterazine as substrate incubated for 40 mins by BRET based GPA assay | F | 8.62 | pEC50 | 2.4 | nM | EC50 | J Med Chem (2023) 66: 10304-10341 [PMID:37467430] |
| Nav1.5/Sodium channel protein type 5 subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of human Nav 1.5 tonic ion channel expressed in HEK293 cells by whole-cell patch clamp technique | B | 4.78 | pIC50 | 16500 | nM | IC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| ChEMBL | Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique | B | 5.33 | pIC50 | 4700 | nM | IC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| Cav1.2/Voltage-dependent L-type calcium channel subunit alpha-1C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936] | ||||||||
| ChEMBL | Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique | B | 4.44 | pIC50 | 36000 | nM | IC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique | B | 5.21 | pIC50 | 6200 | nM | IC50 | J Med Chem (2013) 56: 8019-8031 [PMID:24063433] |
| ChEMBL | Testing of Effects on hERG Potassium Channels: To test the blocking effects of the compounds of the present disclosure on hERG potassium currents. | B | 5.26 | pIC50 | 5500 | nM | IC50 | US-11124523-B2. 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof (2021) |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
