| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 30 | Yes |
Popular Name: Risperidone Risperidone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1026102-43-1 , 106266-06-2 , [106266-06-2]
106266-06-2; D00426; Risperdal (TN); Risperidone (JP16/USAN/INN)
3-(2-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[
3-(2-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,
3-[2-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,
Belivon;Buspirone;Rispen;Risperdal;Risperdal M-Tab;Risperidone;Spiron
CPD000466323; RISPERIDONE; SAM001246595
R 64 766, Risperdal, Risperidone
Risperdal; Risperin; Rispolept; Rispolin; Sequinan
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.96 | 12.27 | -47.95 | 1 | 6 | 1 | 65 | 411.501 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antipsychotic agent | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.71e-01 g/l | DrugBank-approved |
| MP | 172 | TCI |
| mechanism | 5-HT 2 and dopamine-D 2 receptor antagonist | IBScreen Bioactives IBScreen Bioactives |
| Target | 5-HT Receptor | Selleck Chemicals |
| Purity | 97% | Fluorochem |
| mechanism | Also adrenergic receptor activity | IBScreen Bioactives |
| biological_use | Antipsychotic agent | IBScreen Bioactives IBScreen Bioactives |
| Indications | antipsychotic, schizophrenia, bipolar disorder, autism | KeyOrganics Bioactives |
| Therapy | D2 Dopamine receptor antagonist; 5-HT2 serotonin receptor antagonist; antipsychotic | SMDC Pharmakon |
| Patent Database Links | EP1181933; EP1256578; EP1541197; EP1547650; EP1576985; EP1621198; EP1627639; EP1629835; EP1661560; EP1688137; EP1690858; EP1712225; EP1739086; EP1754469; EP1757294; EP1783118; EP1829534; EP1844769; EP1857103; EP1879027; EP1884243; EP1925297; EP1946777; EP | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01295r | NIH Clinical Collection via PubChem |
| therap | neuroleptic | MicroSource Spectrum |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01295r | NIH Clinical Collection via PubChem |
| biological_use | Used for the treatment of schizophrenia and bipolar disorder | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 430 | 0.30 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.34 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.34 | Binding ≤ 10μM |
| 5HT1E-1-E | Serotonin 1e (5-HT1e) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.34 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.34 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 224 | 0.31 | Binding ≤ 10μM |
| 5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.39 | Binding ≤ 10μM |
| ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 6300 | 0.24 | Binding ≤ 10μM |
| ACM2-4-E | Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 6300 | 0.24 | Binding ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 6300 | 0.24 | Binding ≤ 10μM |
| ACM4-3-E | Muscarinic Acetylcholine Receptor M4 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 6300 | 0.24 | Binding ≤ 10μM |
| ACM5-3-E | Muscarinic Acetylcholine Receptor M5 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6300 | 0.24 | Binding ≤ 10μM |
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.37 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 25 | 0.35 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 620 | 0.29 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.37 | Binding ≤ 10μM |
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 88 | 0.33 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 920 | 0.28 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1400 | 0.27 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 4300 | 0.25 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 163 | 0.32 | Functional ≤ 10μM |
| DRD2-4-E | Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic | Eukaryotes | 7 | 0.38 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 3 | 0.40 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.23 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 35 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 0.74 | 0.43 | Binding ≤ 1μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 0.69 | 0.43 | Binding ≤ 1μM |
| ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 13 | 0.37 | Binding ≤ 1μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 0.69 | 0.43 | Binding ≤ 1μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 0.69 | 0.43 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 1.8 | 0.41 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 25 | 0.35 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 1.8 | 0.41 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 1.8 | 0.41 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 147.910839 | 0.32 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 147 | 0.32 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.44 | 0.44 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.54 | 0.43 | Binding ≤ 1μM |
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 23 | 0.36 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 13 | 0.37 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 16 | 0.36 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 147.910839 | 0.32 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 19 | 0.36 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 80 | 0.33 | Binding ≤ 1μM |
| 5HT1A_MOUSE | Q64264 | Serotonin 1a (5-HT1a) Receptor, Mouse | 430 | 0.30 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 21 | 0.36 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 130 | 0.32 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 339 | 0.30 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 339 | 0.30 | Binding ≤ 1μM |
| 5HT1E_HUMAN | P28566 | Serotonin 1e (5-HT1e) Receptor, Human | 55 | 0.34 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 339 | 0.30 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 0.14 | 0.46 | Binding ≤ 1μM |
| 5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 1.5 | 0.41 | Binding ≤ 1μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 0.16 | 0.46 | Binding ≤ 1μM |
| 5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 1.5 | 0.41 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 0.14 | 0.46 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 10 | 0.37 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 0.14 | 0.46 | Binding ≤ 1μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 1.5 | 0.41 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 224 | 0.31 | Binding ≤ 1μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 4.3 | 0.39 | Binding ≤ 1μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 1.4 | 0.41 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 0.74 | 0.43 | Binding ≤ 10μM |
| ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 13 | 0.37 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 0.69 | 0.43 | Binding ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 0.69 | 0.43 | Binding ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 0.69 | 0.43 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 25 | 0.35 | Binding ≤ 10μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 1.8 | 0.41 | Binding ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 1.8 | 0.41 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 1.8 | 0.41 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 147.910839 | 0.32 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 147 | 0.32 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.54 | 0.43 | Binding ≤ 10μM |
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 23 | 0.36 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.44 | 0.44 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 13 | 0.37 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 16 | 0.36 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 147.910839 | 0.32 | Binding ≤ 10μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 80 | 0.33 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 19 | 0.36 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2800 | 0.26 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 6300 | 0.24 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 6300 | 0.24 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 6300 | 0.24 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 6300 | 0.24 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 21 | 0.36 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 130 | 0.32 | Binding ≤ 10μM |
| 5HT1A_MOUSE | Q64264 | Serotonin 1a (5-HT1a) Receptor, Mouse | 430 | 0.30 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 339 | 0.30 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 339 | 0.30 | Binding ≤ 10μM |
| 5HT1E_HUMAN | P28566 | Serotonin 1e (5-HT1e) Receptor, Human | 55 | 0.34 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 339 | 0.30 | Binding ≤ 10μM |
| 5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 1.5 | 0.41 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 0.14 | 0.46 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 0.16 | 0.46 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 0.14 | 0.46 | Binding ≤ 10μM |
| 5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 1.5 | 0.41 | Binding ≤ 10μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 1.5 | 0.41 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 0.14 | 0.46 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 10 | 0.37 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 2000 | 0.27 | Binding ≤ 10μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 1.4 | 0.41 | Binding ≤ 10μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 4.3 | 0.39 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 1400 | 0.27 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 4300 | 0.25 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 163 | 0.32 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.23 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 0.32 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Dopamine receptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Histamine receptors | |
| Muscarinic acetylcholine receptors | |
| Serotonin receptors | |
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.