risperidone   Click here for help

GtoPdb Ligand ID: 96

Synonyms: R-64-766 | R-64766 | Risperdal®
Approved drug PDB Ligand
risperidone is an approved drug (FDA (1993))
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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2D Structure
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Physico-chemical Properties
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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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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))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
R-64-766 | R-64766 | Risperdal®
Database Links Click here for help
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
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Wikipedia Risperidone

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Tocris
Risperidone
Cat. No. 2865