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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL636
CHEMBL636
Compound Name RIVASTIGMINE
ChEMBL Synonyms SDZ-212-713 | ENA-713 | ELUDEN | SDZ-ENA-713 | VOLEZE | ALZEST | KERSTIPON | NIMVASTID | RIVASTIGMINE TARTRATE | PROMETAX | ERASTIG | EXELON | SOMNITON | RIVASTIGMINE
Max Phase 4 (Approved)
Trade Names EXELON | RIVASTIGMINE TARTRATE | ERASTIG | RIVASTIGMINE | SOMNITON | PROMETAX | KERSTIPON | NIMVASTID | ALZEST | ELUDEN | VOLEZE
Molecular Formula C14H22N2O2

Additional synonyms for CHEMBL636 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Standard InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11( ...
Download InChI
Standard InChI Key XSVMFMHYUFZWBK-NSHDSACASA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL636

Molecule Features

CHEMBL636 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cholinesterases; ACHE & BCHE inhibitor Cholinesterases; ACHE & BCHE FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
DementiaD003704HP:0000726dementia4ClinicalTrials
DailyMed
Supranuclear Palsy, ProgressiveD013494Orphanet:683Progressive supranuclear palsy3ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury3ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence1ClinicalTrials
Amphetamine-Related DisordersD019969EFO:0004701metamphetamine dependence1ClinicalTrials
Down SyndromeD004314EFO:0001064Down syndrome1ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease4ClinicalTrials
DailyMed
Neurobehavioral ManifestationsD019954EFO:0004364neurobehavioral manifestations3ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment3ClinicalTrials
Dementia, VascularD015140EFO:0004718vascular dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence1ClinicalTrials
Hypotension, OrthostaticD007024EFO:0005252orthostatic hypotension1ClinicalTrials

Clinical Data

ClinicalTrials.gov RIVASTIGMINE
The Cochrane Collaboration RIVASTIGMINE

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 CHEMBL636. 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
CHEMBL5077 Butyrylcholinesterase Equus caballus 1.000
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.999
CHEMBL220 Acetylcholinesterase Homo sapiens 0.992
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.952
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.827
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.702
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.596
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.439



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5077 Butyrylcholinesterase Equus caballus 1.000
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.999
CHEMBL220 Acetylcholinesterase Homo sapiens 0.999
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.997
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.994
CHEMBL3199 Acetylcholinesterase Rattus norvegicus 0.837
CHEMBL2528 Butyrylcholinesterase Mus musculus 0.833
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.602
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 0.313

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
250.3 250.1681 2.76 4 32.78 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.62 2.06 .85 1 18 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL636. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06D - ANTI-DEMENTIA DRUGS
N06DA - Anticholinesterases
N06DA03 - rivastigmine

ChemSpider ChemSpider:XSVMFMHYUFZWBK-NSHDSACASA-N
DailyMed rivastigmine rivastigmine tartrate
Wikipedia Rivastigmine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL636



ACToR 123441-03-2
BindingDB 11682 10620
Brenda 117556
ChEBI 8874
DrugBank DB00989
DrugCentral 2392
eMolecules 902424
EPA CompTox Dashboard DTXSID7023564
FDA SRS PKI06M3IW0
Guide to Pharmacology 6602
Human Metabolome Database HMDB0015124
IBM Patent System D65D63200AA27B191D07614482B0AA3D
KEGG Ligand C11766
LINCS LSM-5280
MolPort MolPort-003-666-662
Nikkaji J982.502I
PharmGKB PA451262
PubChem 77991
PubChem: Thomson Pharma 15122215 14774320
SureChEMBL SCHEMBL2764
ZINC ZINC000000004413

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