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
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT7 receptor Rn Antagonist Inverse agonist 8.9 – 9.0 pKd - 6,13
pKd 8.9 – 9.0 [6,13]
5-HT2A receptor Primary target of this compound Hs Antagonist Inverse agonist 9.3 – 10.0 pKi - 5,7,14
pKi 9.3 – 10.0 [5,7,14]
D2 receptor Primary target of this compound Hs Antagonist Antagonist 9.4 pKi - 1
pKi 9.4 (Ki 4.4x10-10 M) [1]
5-HT2A receptor Rn Antagonist Antagonist 8.5 pKi - 2
pKi 8.5 [2]
5-HT7 receptor Hs Antagonist Inverse agonist 8.3 – 8.7 pKi - 12,16
pKi 8.3 – 8.7 [12,16]
α1A-adrenoceptor Hs Antagonist Antagonist 8.4 pKi - 17
pKi 8.4 [17]
α1B-adrenoceptor Hs Antagonist Antagonist 8.0 pKi - 17
pKi 8.0 [17]
5-HT1D receptor Primary target of this compound Hs Antagonist Antagonist 7.8 – 8.0 pKi - 9,14
pKi 7.8 – 8.0 [9,14]
H1 receptor Hs Antagonist Antagonist 7.6 – 7.8 pKi - 7,14
pKi 7.6 – 7.8 [7,14]
5-HT2C receptor Hs Antagonist Inverse agonist 7.5 – 7.6 pKi - 3,7
pKi 7.5 – 7.6 [3,7]
α1D-adrenoceptor Hs Antagonist Antagonist 7.4 pKi - 17
pKi 7.4 [17]
D3 receptor Hs Antagonist Antagonist 7.0 pKi - 10
pKi 7.0 [10]
5-HT1B receptor Primary target of this compound Hs Antagonist Antagonist 6.6 – 7.3 pKi - 8,14-15
pKi 6.6 – 7.3 [8,14-15]
5-HT1A receptor Hs Antagonist Antagonist 6.4 – 6.5 pKi - 11,14
pKi 6.4 – 6.5 [11,14]
5-HT1A receptor Rn Antagonist Antagonist 6.2 pKi - 6
pKi 6.2 [6]
5-HT6 receptor Rn Antagonist Inverse agonist 6.0 – 6.4 pKi - 6,13
pKi 6.0 – 6.4 [6,13]
5-ht1e receptor Hs Antagonist Antagonist 5.9 pKi - 14
pKi 5.9 [14]
5-HT1F receptor Hs Antagonist Antagonist 5.9 pKi - 14
pKi 5.9 [14]
5-HT6 receptor Hs Antagonist Antagonist 5.6 pKi - 4
pKi 5.6 [4]