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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 Consta Long Acting | Risperdal M-TAB | RISPERDAL | R 64 766 | Risperdal consta | RISPERIDONE | R-64766 | Risperdal M | R-64-766
Max Phase 4 (Approved)
Trade Names RISPERIDONE | Risperdal consta | RISPERDAL | Risperdal Consta Long Acting | Risperdal M-TAB | Risperdal M
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 DailyMed FDA
Serotonin 2a (5-HT2a) receptor antagonist Serotonin 2a (5-HT2a) receptor DailyMed FDA
Serotonin 2c (5-HT2c) receptor antagonist Serotonin 2c (5-HT2c) receptor DailyMed FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
BIPOLAR DISORDERD001714EFO:0000289BIPOLAR DISORDER4DailyMed
ClinicalTrials
SCHIZOPHRENIAD012559EFO:0000692SCHIZOPHRENIA4DailyMed
ClinicalTrials
COCAINE-RELATED DISORDERSD019970EFO:0002610COCAINE DEPENDENCE2ClinicalTrials
DIABETES MELLITUSD003920EFO:0000400DIABETES MELLITUS2ClinicalTrials
LECITHIN ACYLTRANSFERASE DEFICIENCYD007863Orphanet:79292FISH-EYE DISEASE1ClinicalTrials
AUTISTIC DISORDERD001321EFO:0003758AUTISM4ClinicalTrials
DailyMed
PSYCHOTIC DISORDERSD011618EFO:0005407PSYCHOSIS4ATC
DEPRESSIVE DISORDERD003866EFO:0003761UNIPOLAR DEPRESSION1ClinicalTrials
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
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL240 HERG Homo sapiens 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.996
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.995
CHEMBL323 Serotonin 2b (5-HT2b) receptor Rattus norvegicus 0.992
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.966
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.959
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.940
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.848
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.436
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.432
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.415
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.211



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
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL240 HERG Homo sapiens 0.999
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.996
CHEMBL323 Serotonin 2b (5-HT2b) receptor Rattus norvegicus 0.969
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.967
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.966
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.954
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.945
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.944
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.654
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.463
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.391
CHEMBL3737 Serotonin 1a (5-HT1a) receptor Mus musculus 0.204

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
410.5 410.2118 3.32 4 61.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 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 2 30 0.78

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
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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