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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL85
CHEMBL85
Compound Name RISPERIDONE
ChEMBL Synonyms Risperdal M-TAB | R-64-766 | Risperdal M | R 64 766 | Risperdal Consta Long Acting | RISPERDAL CONSTA | RISPERDAL QUICKLET | RISPERDAL | RISPERIDONE
Max Phase 4 (Approved)
Trade Names RISPERIDONE | RISPERDAL QUICKLET | RISPERDAL | Risperdal Consta Long Acting | Risperdal M-TAB | Risperdal M | RISPERDAL CONSTA
Molecular Formula C23H27FN4O2

Additional synonyms for CHEMBL85 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1
Standard InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15) ...
Download InChI
Standard InChI Key RAPZEAPATHNIPO-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL85

Molecule Features

CHEMBL85 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dopamine D2 receptor antagonist Dopamine D2 receptor FDA
Serotonin 2a (5-HT2a) receptor antagonist Serotonin 2a (5-HT2a) receptor FDA
Serotonin 2c (5-HT2c) receptor antagonist Serotonin 2c (5-HT2c) receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Attention Deficit and Disruptive Behavior DisordersD019958HP:0010865oppositional defiant disorder3ClinicalTrials
Autistic DisorderD001321EFO:0003758autism4ClinicalTrials
DailyMed
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder4ClinicalTrials
DailyMed
Tourette SyndromeD005879EFO:0004895Tourette syndrome2ClinicalTrials
Lecithin Cholesterol Acyltransferase DeficiencyD007863Orphanet:79292Fish-eye disease1ClinicalTrials
Mental DisordersD001523EFO:0000677mental or behavioural disorder3ClinicalTrials
Psychotic DisordersD011618EFO:0005407psychosis4ATC
Dyskinesia, Drug-InducedD004409EFO:1000904drug-Induced dyskinesia1ClinicalTrials
Amphetamine-Related DisordersD019969EFO:0004701metamphetamine dependence2ClinicalTrials
Child Development Disorders, PervasiveD002659EFO:0003756autism spectrum disorder1ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus2ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder4ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia4ClinicalTrials
DailyMed
Stress Disorders, Post-TraumaticD013313EFO:0001358post-traumatic stress disorder2ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials

Clinical Data

ClinicalTrials.gov RISPERIDONE
The Cochrane Collaboration RISPERIDONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL85. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL3943 Histamine H1 receptor Cavia porcellus 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.999
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.998
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.998
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.993
CHEMBL240 HERG Homo sapiens 0.849
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.840
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.583
CHEMBL3737 Serotonin 1a (5-HT1a) receptor Mus musculus 0.518
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.292
CHEMBL3427 Dopamine D2 receptor Mus musculus 0.262



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL3943 Histamine H1 receptor Cavia porcellus 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.999
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.999
CHEMBL240 HERG Homo sapiens 0.989
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.982
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.963
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.928
CHEMBL3737 Serotonin 1a (5-HT1a) receptor Mus musculus 0.914
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.566
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.519
CHEMBL231 Histamine H1 receptor Homo sapiens 0.226
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.220

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
410.5 410.2118 3.59 4 64.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.07 2.68 1.89 3 30 0.66

Structural Alerts

There are no structural alerts for CHEMBL85

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AX - Other antipsychotics
N05AX08 - risperidone

ChemSpider ChemSpider:RAPZEAPATHNIPO-UHFFFAOYSA-N
DailyMed risperidone
PubChem SID: 104171228 SID: 11111724 SID: 11111725 SID: 124881313 SID: 124881314 SID: 144203804 SID: 170464925 SID: 26719830 SID: 26753640 SID: 49666400 SID: 50106974 SID: 50106975 SID: 50123965 SID: 85231208
Wikipedia Risperidone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL85



ACToR 106266-06-2
BindingDB 50001885
Brenda 145986 145072 26594
ChEBI 8871
ChemicalBook CB9131730
DrugBank DB00734
DrugCentral 2389
eMolecules 902418
EPA CompTox Dashboard DTXSID8045193
FDA SRS L6UH7ZF8HC
Guide to Pharmacology 96
Human Metabolome Database HMDB0005020
IBM Patent System 1D1D01B4386CF3D7F3CADA004E556937
LINCS LSM-3193
Mcule MCULE-4027175053
MolPort MolPort-002-885-858
NIH Clinical Collection SAM001246595
Nikkaji J138.382E
PDBe 8NU
PharmGKB PA451257
PubChem 5073
PubChem: Drugs of the Future 12013967
PubChem: Thomson Pharma 14904216
Selleck Risperidone(Risperdal)
SureChEMBL SCHEMBL27911
ZINC ZINC000000538312

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RAPZEAPATHNIPO-UHFFFAOYSA-N spacer
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