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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL168815
CHEMBL168815
Compound Name CEVIMELINE
ChEMBL Synonyms AF102B | FKS-508 | CEVIMELINE HYDROCHLORIDE | CEVIMELINE | SNK-508 | EVOXAC | SNI-2011 | SND-5008
Max Phase 4 (Approved)
Trade Names CEVIMELINE HYDROCHLORIDE | EVOXAC | CEVIMELINE
Molecular Formula C10H17NOS

Additional synonyms for CHEMBL168815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1OC2(CS1)CN3CCC2CC3
Standard InChI InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8 ...
Download InChI
Standard InChI Key WUTYZMFRCNBCHQ-UHFFFAOYSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL168815

Molecule Features

CHEMBL168815 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M1 agonist Muscarinic acetylcholine receptor M1 DailyMed ISBN PubMed
Muscarinic acetylcholine receptor M3 agonist Muscarinic acetylcholine receptor M3 DailyMed ISBN PubMed

Clinical Data

ClinicalTrials.gov CEVIMELINE
The Cochrane Collaboration CEVIMELINE

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 CHEMBL168815. 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
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 1.000
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.999
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.971
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 0.927
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.893
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.815
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.706
CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus 0.534
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.468
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.450
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.435
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.376
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.251
CHEMBL6184 Transporter Rattus norvegicus 0.234



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 1.000
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.989
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.970
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 0.938
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.713
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.629
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.514
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.479
CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus 0.444
CHEMBL317 Muscarinic acetylcholine receptor M4 Rattus norvegicus 0.270
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.206

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
199.3 199.1031 1.56 0 12.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.51 2.44 .37 0 13 0.59

Structural Alerts

There are no structural alerts for CHEMBL168815

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07A - PARASYMPATHOMIMETICS
N07AX - Other parasympathomimetics
N07AX03 - cevimeline

ChemSpider ChemSpider:WUTYZMFRCNBCHQ-UHFFFAOYSA-N
DailyMed cevimeline hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL168815



DrugCentral 584
EPA CompTox Dashboard DTXSID40274384
Guide to Pharmacology 9658
IBM Patent System 1983A944FDF35EF60603DF59556AD963
Nikkaji J621.334K
PubChem 2684
PubChem: Thomson Pharma 14748683
SureChEMBL SCHEMBL299760

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