General Information of the Compound
Compound ID
CP0039958
Compound Name
(risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one
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Synonyms
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
3-[2-[-4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido [1,2-a] pyrimidin-4-one
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperi-dino]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]-pyrimidin-4-one
3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Belivon
Consta, Risperdal
KS-1106
R 62 766
R 64 766, Risperdal, Risperidone
R 64,766
R 64766
R-118
R-64,766
R-64-766
R-64766
R64,766
R64766
Risperdal
Risperdal (TN)
Risperdal Consta
Risperdal M-Tab
Risperdone
Risperidal
Risperidal M-Tab
Risperidona
Risperidona [Spanish]
Risperidone
Risperidone (JAN/USAN/INN)
Risperidone (RIS)
Risperidone [USAN:BAN:INN]
Risperidone, placebo
Risperidonum
Risperidonum [Latin]
Risperin
Rispolept
Rispolin
Sequinan
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Structure
Formula
C23H27FN4O2
Molecular Weight
410.493
Canonical SMILES
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
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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
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InChIKey
RAPZEAPATHNIPO-UHFFFAOYSA-N
CAS
106266-06-2
Physicochemical Property
logP
3.59042
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
64.16
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5073
SID: 14904216
ChEMBL ID
CHEMBL85
DrugBank ID
DB00734
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 251.19 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1169 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 > 10000 nM
2 Kd = 398.11 nM
3 Ki = 21 nM
4 Ki = 182 nM
5 Ki = 190 nM
6 Ki = 210 nM
7 Ki = 253 nM
8 Ki = 271 nM
9 Ki = 1000 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.37 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 0.5 nM
   TI
   LI
   LO
   TS
2
Ki = 1 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.67 nM
2 Ki = 0.15 nM
3 Ki = 0.16 nM
4 Ki = 0.17 nM
5 Ki = 0.19 nM
6 Ki = 0.29 nM
7 Ki = 0.39 nM
8 Ki = 0.5 nM
9 Ki = 0.5012 nM
10 Ki = 0.81 nM
11 Ki < 1 nM
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 19.95 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 12.59 nM
   TI
   LI
   LO
   TS
CL000027 tsA201 Homo sapiens (Human)  1
1
Ki = 33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.81 nM
2 IC50 = 7 nM
3 Ki = 6.4 nM
4 Ki = 7.413 nM
5 Ki = 10 nM
6 Ki = 12 nM
7 Ki = 20.9 nM
8 Ki = 32 nM
9 Ki = 39.1 nM
10 Ki = 41.69 nM
11 Ki = 63 nM
12 Ki = 91.2 nM
13 Ki = 100 nM
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 224 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1107 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1260 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1190 nM
2 Ki = 1329.2 nM
3 Ki = 2000 nM
4 Ki > 1000 nM
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.3 nM
2 Ki = 10 nM
Protein ID: PT00817, Cytochrome P450 2D6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 5273.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.6 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 1.4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6.31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.09 nM
2 Ki = 0.44 nM
3 Ki = 2.2 nM
4 Ki = 2.7 nM
5 Ki = 3.1 nM
6 Ki = 3.3 nM
7 Ki = 3.57 nM
8 Ki = 3.8 nM
9 Ki = 3.9 nM
10 Ki = 5.9 nM
11 Ki = 6.166 nM
12 Ki = 6.4 nM
13 Ki = 10 nM
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 6.7 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.7 nM
2 Ki = 9.6 nM
3 Ki = 13 nM
4 Ki = 14 nM
5 Ki = 14.3 nM
6 Ki = 16 nM
7 Ki = 16.22 nM
8 Ki = 100 nM
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 13 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 7 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8.5 nM
2 Ki = 16 nM
3 Ki = 100 nM
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 151.36 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 162.18 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  4
1
IC50 = 163 nM
   TI
   LI
   LO
   TS
2
IC50 = 167.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 581 nM
   TI
   LI
   LO
   TS
4
Ki = 920 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 147.91 nM
2 IC50 = 148 nM
3 IC50 = 167 nM
4 IC50 = 260 nM
5 IC50 = 778 nM
6 IC50 = 1070 nM
7 IC50 = 1330 nM
Protein ID: PT04591, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Risperidone )
Drug Name Risperidone
Company Janssen-Cilag
Indication
Schizophrenia
Approved
Target(s)
Dopamine D2 receptor (D2R)
Antagonist