roluperidone [Ligand Id: 13306] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4297605 (FMI, MIN-101 FREE BASE, Roluperidona, Roluperidone)
  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
ChEMBL Binding affinity to 5-HT1A receptor (unknown origin) by Tango assay B 8.12 pKi 7.53 nM Ki Bioorg Med Chem (2022) 73: 117032-117032 [PMID:36202063]
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
ChEMBL Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constant B 8.12 pKi 7.5 nM Ki J Med Chem (2023) 66: 12499-12519 [PMID:37607512]
σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2]
ChEMBL Binding affinity to sigma2 receptor (unknown origin) assessed as inhibition constant B 8.09 pKi 8.2 nM Ki J Med Chem (2023) 66: 12499-12519 [PMID:37607512]
ChEMBL Displacement of [H3]DTG from sigma 2 receptor (unknown origin) by competition binding assay B 8.09 pKi 8.19 nM Ki Bioorg Med Chem (2022) 73: 117032-117032 [PMID:36202063]
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
ChEMBL Binding affinity to sigma1 receptor (unknown origin) assessed as inhibition constant B 6 pKi >=1000 nM Ki J Med Chem (2023) 66: 12499-12519 [PMID:37607512]

ChEMBL data shown on this page come from version 34:

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]