Compound Detail

CHEMBL85

RISPERIDONE

💊 Approved Drug

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💊 Approved Drug

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL85
Name	RISPERIDONE
Phase	Approved
Structure Type	MOL
InChI Key	RAPZEAPATHNIPO-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

LY-03004 LY03004 N05AX08 NSC-759895 Okedi Perseris Perseris kit R 64 766 R-64,766 R-64-766 R-64766 RCN-3028 +12 more

Targets

373

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

410.5

MW (Da)

3.59

ALogP

HBA

HBD

64.2

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1993
Availability	Prescription
Chirality	Achiral

Routes of Administration

Oral Parenteral

Flags

Black Box Warning

USAN Year

1989

Extended Properties

Molecular Formula	C23H27FN4O2
MW	410.49
Aromatic Rings	3
Heavy Atoms	30
NP-Likeness	-1.47

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serotonin 2a (5-HT2a) receptor antagonist	ANTAGONIST	5-hydroxytryptamine receptor 2A	✓	✓
Serotonin 2c (5-HT2c) receptor antagonist	ANTAGONIST	5-hydroxytryptamine receptor 2C	✓	✓
Dopamine D2 receptor antagonist	ANTAGONIST	D(2) dopamine receptor	✓	✓

Indications

Aggression Autistic Disorder Bipolar Disorder Bipolar Disorder Psychotic Disorders Psychotic Disorders Schizophrenia Alzheimer Disease Anxiety Asperger Syndrome Attention Deficit and Disruptive Behavior Disorders Conduct Disorder Dementia Dementia, Vascular Depressive Disorder Depressive Disorder, Major Developmental Disabilities Intellectual Disability Mental Disorders Neurodevelopmental Disorders

ATC Classification

N05AX08

risperidone

Level 1: NERVOUS SYSTEM

Level 2: PSYCHOLEPTICS

Drug Warnings

Black Box Warning

General Warning

Country: United States

Activity Summary

Ki 267 meas. best 10.0

IC50 102 meas. best 9.46

Kd 3 meas. best 6.4

EC50 1 meas. best 6.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	10.0	9.43	0.1	21
Serotonin 2 (5-HT2) receptor CHEMBL2093870	Ki	9.85	9.75	0.1	3
5-hydroxytryptamine receptor 2A CHEMBL322	Ki	9.82	9.5406	0.1	16
Rattus norvegicus CHEMBL376	Ki	9.49	8.475	0.3	2
5-hydroxytryptamine receptor 2A CHEMBL224	IC50	9.46	8.882	0.3	5
5-hydroxytryptamine receptor 7 CHEMBL3155	Ki	9.4	8.6925	0.4	4
Alpha-1A adrenergic receptor CHEMBL319	Ki	9.4	8.7833	0.4	3
D(2) dopamine receptor CHEMBL217	Ki	9.36	8.436	0.4	20
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) CHEMBL2111406	Ki	9.27	9.27	0.5	1
Adrenergic receptor alpha-1 CHEMBL2094251	Ki	9.16	8.722	0.7	5
Adrenergic receptor alpha-1 CHEMBL1907610	Ki	9.13	8.4115	0.7	13
Serotonin 2 (5-HT2) receptor CHEMBL2093870	IC50	9.12	8.65	0.8	4
Alpha-1A adrenergic receptor CHEMBL319	IC50	9.01	9.01	1.0	1
Alpha-1B adrenergic receptor CHEMBL315	Ki	8.97	8.97	1.1	1
Alpha-2C adrenergic receptor CHEMBL1916	Ki	8.86	8.45	1.4	3
5-hydroxytryptamine receptor 2A CHEMBL322	IC50	8.85	8.72	1.4	2
5-hydroxytryptamine receptor 7 CHEMBL3223	Ki	8.85	8.155	1.4	4
Serotonin 2 (5-HT2) receptor CHEMBL2096671	IC50	8.82	8.82	1.5	1
Adrenergic receptor alpha-2 CHEMBL2095158	Ki	8.74	8.43	1.8	2
5-hydroxytryptamine receptor 2C CHEMBL225	IC50	8.74	8.39	1.8	6
D(2) dopamine receptor CHEMBL339	Ki	8.74	8.371	1.8	21
Alpha-1B adrenergic receptor CHEMBL315	IC50	8.71	8.71	1.9	1
Alpha-1A adrenergic receptor CHEMBL229	Ki	8.64	8.42	2.3	4
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	8.61	7.7053	2.4	19
Histamine H1 receptor CHEMBL231	Ki	8.59	7.674	2.6	10
Adrenergic receptor alpha-1 CHEMBL1907610	IC50	8.54	8.54	2.9	1
D(2) dopamine receptor CHEMBL217	IC50	8.44	8.0814	3.6	7
Alpha-2A adrenergic receptor CHEMBL1867	Ki	8.44	7.4975	3.6	4
D(2) dopamine receptor CHEMBL339	IC50	8.4	7.6283	4.0	6
Alpha-1D adrenergic receptor CHEMBL223	Ki	8.31	8.31	4.9	1
D(4) dopamine receptor CHEMBL219	Ki	8.21	7.8614	6.2	7
D(3) dopamine receptor CHEMBL234	Ki	8.17	7.845	6.7	12
Adrenergic receptor alpha-2 CHEMBL2093864	Ki	8.1	7.6075	7.9	4
Histamine H1 receptor CHEMBL3943	Ki	8.1	7.5488	7.9	8
Alpha-2C adrenergic receptor CHEMBL1916	IC50	8.02	8.02	9.6	1
D(3) dopamine receptor CHEMBL3138	Ki	8.01	7.844	9.7	5
Alpha-2A adrenergic receptor CHEMBL1867	IC50	8.01	8.01	9.7	1
Alpha-1D adrenergic receptor CHEMBL223	IC50	8.0	8.0	10.0	1
Alpha-1B adrenergic receptor CHEMBL232	Ki	8.0	8.0	10.0	1
5-hydroxytryptamine receptor 1B CHEMBL1898	Ki	8.0	8.0	10.0	1
Alpha-1A adrenergic receptor CHEMBL229	IC50	8.0	7.976	10.0	5
Alpha-2B adrenergic receptor CHEMBL1942	Ki	7.92	6.96	12.0	2
Unchecked CHEMBL612545	Ki	7.89	7.55	13.0	3
5-hydroxytryptamine receptor 2C CHEMBL324	Ki	7.84	7.51	14.5	6
5-hydroxytryptamine receptor 2B CHEMBL1833	Ki	7.82	7.6867	15.0	3
Unchecked CHEMBL612545	IC50	7.7	7.7	20.0	1
5-hydroxytryptamine receptor 1A CHEMBL214	Ki	7.68	6.6133	21.0	9
D(1A) dopamine receptor CHEMBL2056	Ki	7.68	6.5967	21.0	6
D(1A) dopamine receptor CHEMBL265	Ki	7.66	7.0975	22.0	4
D(2) dopamine receptor CHEMBL3427	IC50	7.64	7.64	23.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	22.6	ng.hr.mL-1	Macaca fascicularis
AUC	72.0	ng.hr.mL-1	Canis lupus familiaris
AUC	1.14	ng.hr.mL-1	Macaca fascicularis
AUC	3.48	ng.hr.mL-1	Canis lupus familiaris
AUC	27.6	ng.hr.mL-1	Macaca fascicularis
AUC	71.2	ng.hr.mL-1	Canis lupus familiaris
AUC	130.0	ng.hr.mL-1	Rattus norvegicus
AUC	108.0	ng.hr.mL-1	Rattus norvegicus
AUC	11.9	ng.hr.mL-1	Rattus norvegicus
AUC	11.3	ng.hr.mL-1	Rattus norvegicus
AUC	441.0	ng.hr.mL-1	Rattus norvegicus
AUC	409.0	ng.hr.mL-1	Rattus norvegicus
AUC	24.24	ng.hr.mL-1	Rattus norvegicus
CL	5.4	mL.min-1.kg-1	Homo sapiens
CL	5.2	mL.min-1.kg-1	Homo sapiens
CL	5.4	mL.min-1.kg-1	Homo sapiens
CL	5.4	mL.min-1.kg-1	Homo sapiens
CL	0.32	mL.min-1.g-1	Rattus norvegicus
CL	0.05	mL.min-1.g-1	Rattus norvegicus
CL	307.0	mL.min-1.kg-1	Rattus norvegicus
CL	43.0	mL.min-1.kg-1	Homo sapiens
CL	19.2	uL.min-1.(10^6cells)-1	Homo sapiens
CL	4.02	uL.min-1.(10^6cells)-1	Homo sapiens
CL	5.4	mL.min-1.kg-1	Homo sapiens
Cmax	20.0	nM	Rattus norvegicus
F	79.0	%	Homo sapiens
F	70.0	%	Homo sapiens
Fu	0.11	-	-
Fu	0.042	-	-
Fu	0.11	-	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 2A	Ki	=	0.099	nM	10.0	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: ...	-
Serotonin 2 (5-HT2) receptor	Ki	=	0.14	nM	9.85	Ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 recep...	-
5-hydroxytryptamine receptor 2A	Ki	=	0.15	nM	9.82	Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cort...	19072656
5-hydroxytryptamine receptor 2A	Ki	=	0.15	nM	9.82	Binding affinity to 5HT2A receptor (unknown origin)	25343529
5-hydroxytryptamine receptor 2A	Ki	=	0.16	nM	9.8	Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor	14998318
5-hydroxytryptamine receptor 2A	Ki	=	0.16	nM	9.8	Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide...	7861418
5-hydroxytryptamine receptor 2A	Ki	=	0.1603	nM	9.79	Displacement of [3H]ketanserin from 5HT2A receptor in rat brain	17869521
5-hydroxytryptamine receptor 2A	Ki	=	0.17	nM	9.77	Antagonist activity at 5HT2A receptor (unknown origin)	32182489
5-hydroxytryptamine receptor 2A	Ki	=	0.18	nM	9.74	Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after ...	23675993
5-hydroxytryptamine receptor 2A	Ki	=	0.18	nM	9.74	Displacement of [3H] ketanserin from 5-HT2A receptor in Sprague-Dawley rat cereb...	27639363
5-hydroxytryptamine receptor 2A	Ki	=	0.18	nM	9.74	Displacement of [3H]-ketanserine from serotonin 5-HT2A receptor in rat brain cor...	30383372
5-hydroxytryptamine receptor 2A	Ki	=	0.19	nM	9.72	Displacement of [3H]ketanserin from rat cerebral cortex 5HT2A receptor measured ...	32877805
5-hydroxytryptamine receptor 2A	Ki	=	0.19	nM	9.72	Binding affinity to 5-HT2A receptor (unknown origin)	33705900
Serotonin 2 (5-HT2) receptor	Ki	=	0.2	nM	9.7	Affinity for 5-hydroxytryptamine 2 receptor	9871525
Serotonin 2 (5-HT2) receptor	Ki	=	0.2	nM	9.7	The binding affinity was measured on 5-hydroxytryptamine 2 receptor in rat brain...	1346653
5-hydroxytryptamine receptor 2A	Ki	=	0.1995	nM	9.7	In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A ...	10425088
5-hydroxytryptamine receptor 2A	Ki	=	0.23	nM	9.64	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 c...	37027998
5-hydroxytryptamine receptor 2A	Ki	=	0.25	nM	9.6	Displacement of [3H]ketanserin from 5HT2A receptor in rat brain cortex	-
5-hydroxytryptamine receptor 2A	Ki	=	0.25	nM	9.6	Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat brain c...	24487191
5-hydroxytryptamine receptor 2A	Ki	=	0.29	nM	9.54	Binding affinity to human cloned 5HT2A receptor	18595716

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	199
-	10.5281/zenodo.13943903	ADMET	84
31158845	10.1038/s41586-019-1291-3	ADMET	63
-	10.6019/CHEMBL4295262	Unchecked	36
16472241	10.2174/1570163043334794	Hepatotoxicity	18
22194678	10.1371/journal.pcbi.1002310	Hepatotoxicity	14
15646539	10.1016/s0399-8320(04)95062-2	Unchecked	11
18948000	10.1016/j.bmcl.2008.10.035	Mus musculus	9
22112383	10.1124/dmd.111.043083	ADMET	8
15646539	10.1016/s0399-8320(04)95062-2	NON-PROTEIN TARGET	8
22736307	10.1124/dmd.112.045682	ADMET	8
-	10.1007/s00044-012-0164-1	Mus musculus	8
20070106	10.1021/jm901371v	Homo sapiens	8
22899853	10.1124/dmd.112.046391	ADMET	8
7707315	10.1021/jm00007a009	Rattus norvegicus	7
1672156	10.1021/jm00107a028	Rattus norvegicus	7
30383372	10.1021/acs.jmedchem.8b01096	Mus musculus	7
22899853	10.1124/dmd.112.046391	Nucleic Acid	6
22834877	10.1021/jm3004976	Rattus norvegicus	6
19734910	10.1038/nchembio.215	Plasmodium falciparum	6

Data from ChEMBL 36 via Core Engine