filorexant [Ligand Id: 4460] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2107822 (Filorexant, MK-6096) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613] | ||||||||
| ChEMBL | Antagonist activity at human OX1R by radioligand displacement assay | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 444-450 [PMID:25577040] |
| ChEMBL | Binding affinity to orexin receptor 1 (unknown origin) | B | 8.6 | pKi | 2.5 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187] |
| ChEMBL | Antagonist activity at orexin-1 receptor (unknown origin) | B | 8.6 | pKi | 2.5 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 2875-2887 [PMID:26045032] |
| ChEMBL | Binding affinity to OX1R (unknown origin) | B | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2016) 59: 504-530 [PMID:26317591] |
| GtoPdb | - | - | 9.1 | pKi | - | - | - |
J Med Chem (2010) 53: 5320-32 [PMID:20565075]; Neuropharmacology (2012) 62: 978-87 [PMID:22019562]; Front Neurosci (2013) 7: 230 [PMID:24376396] |
| ChEMBL | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX1 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method | B | 9.2 | pKi | 0.63 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| GtoPdb | - | - | 9.2 | pKi | - | - | - | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Antagonist activity at human OX1R by FLIPR assay | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 444-450 [PMID:25577040] |
| ChEMBL | Antagonist activity at human OX1R expressed in CHO cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 mins | F | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2016) 59: 504-530 [PMID:26317591] |
| OX1 receptor in Mouse [GtoPdb: 321] [UniProtKB: P58307] | ||||||||
| OX1 receptor/Orexin receptor 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075232] [GtoPdb: 321] [UniProtKB: P56718] | ||||||||
| ChEMBL | Radioligand Binding Assay: Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430. | B | 8.54 | pKi | 2.9 | nM | Ki | US-8569311-B2. Pyridyl piperidine orexin receptor antagonists (2013) |
| OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614] | ||||||||
| GtoPdb | - | - | 9.1 | pKi | - | - | Ki |
J Med Chem (2010) 53: 5320-32 [PMID:20565075]; Neuropharmacology (2012) 62: 978-87 [PMID:22019562]; Front Neurosci (2013) 7: 230 [PMID:24376396] |
| ChEMBL | Binding affinity to orexin receptor 2 (unknown origin) | B | 9.52 | pKi | 0.3 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187] |
| ChEMBL | Antagonist activity at human OX2R by radioligand displacement assay | B | 9.52 | pKi | 0.3 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 444-450 [PMID:25577040] |
| ChEMBL | Antagonist activity at orexin-2 receptor (unknown origin) | B | 9.52 | pKi | 0.3 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 2875-2887 [PMID:26045032] |
| ChEMBL | Binding affinity to OX2R (unknown origin) | B | 9.52 | pKi | 0.3 | nM | Ki | J Med Chem (2016) 59: 504-530 [PMID:26317591] |
| GtoPdb | - | - | 9.7 | pKi | - | - | - | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX2 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method | B | 9.7 | pKi | 0.2 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Antagonist activity at human OX2R by FLIPR assay | B | 7.77 | pIC50 | 17 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 444-450 [PMID:25577040] |
| ChEMBL | Antagonist activity at human OX2R expressed in CHO cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 mins | F | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2016) 59: 504-530 [PMID:26317591] |
| OX2 receptor in Mouse [GtoPdb: 322] [UniProtKB: P58308, P58308-2] | ||||||||
| OX2 receptor/Orexin receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1275216] [GtoPdb: 322] [UniProtKB: P56719] | ||||||||
| ChEMBL | Radioligand Binding Assay: Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430. | B | 9.51 | pKi | 0.31 | nM | Ki | US-8569311-B2. Pyridyl piperidine orexin receptor antagonists (2013) |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
