risperidone   Click here for help

GtoPdb Ligand ID: 96

Synonyms: Okedi® | R-64-766 | R-64766 | Risperdal®
Approved drug PDB Ligand
risperidone is an approved drug (FDA (1993), EMA (2022))
Compound class: Synthetic organic
Comment: Risperidone is an atypical antipsychotic drug, functioning as a dopamine D2, serotonin 5-HT2 and α2-adrenoceptor antagonist.
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species

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2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 64.16
Molecular weight 410.21
XLogP 3.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2
Isomeric SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2
InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
InChI Key RAPZEAPATHNIPO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1993), EMA (2022))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
Is prodrug? Yes
Active form paliperidone
IUPAC Name Click here for help
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one
International Nonproprietary Names Click here for help
INN number INN
6085 risperidone
Synonyms Click here for help
Okedi® | R-64-766 | R-64766 | Risperdal®
Database Links Click here for help
Specialist databases
GPCRdb Ligand risperidone
Other databases
BindingDB Ligand 50001885
CAS Registry No. 106266-06-2
ChEBI CHEBI:8871
ChEMBL Ligand CHEMBL85
DrugBank Ligand DB00734
DrugCentral Ligand 2389
GtoPdb PubChem SID 135650903
PubChem CID 5073
RCSB PDB Ligand 8NU
Search Google for chemical match using the InChIKey RAPZEAPATHNIPO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RAPZEAPATHNIPO
Search PubMed clinical trials risperidone
Search PubMed titles risperidone
Search PubMed titles/abstracts risperidone
UniChem Compound Search for chemical match using the InChIKey RAPZEAPATHNIPO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RAPZEAPATHNIPO-UHFFFAOYSA-N
Wikipedia Risperidone

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Tocris
Risperidone (links to external site)
Cat. No. 2865