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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL131428
CHEMBL131428
Compound Name ALVAMELINE
ChEMBL Synonyms Alvameline | ALVAMELINE MALEATE
Max Phase 0
Trade Names
Molecular Formula C9H15N5

Additional synonyms for CHEMBL131428 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1nnc(n1)C2=CCCN(C)C2
Standard InChI InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H, ...
Download InChI
Standard InChI Key RNMOMKCRCIRYCZ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL131428

Molecule Features

CHEMBL131428 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ALVAMELINE
The Cochrane Collaboration ALVAMELINE

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 CHEMBL131428. 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
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.824
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.359

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.883

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
193.3 193.1327 0.91 2 46.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.29 .88 .68 1 14 0.7

Structural Alerts

There are no structural alerts for CHEMBL131428

Compound Cross References

ChemSpider ChemSpider:RNMOMKCRCIRYCZ-UHFFFAOYSA-N
Wikipedia Alvameline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL131428



ACToR 120241-31-8
BindingDB 50038210
EPA CompTox Dashboard DTXSID30152748
FDA SRS 4XFD7B36M6
IBM Patent System E648A294F0475787C8E4861AF329C0C3
Nikkaji J637.389E
PubChem 178030
PubChem: Thomson Pharma 15120834
SureChEMBL SCHEMBL6024870
ZINC ZINC000000006302

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