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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL376897
CHEMBL376897
Compound Name METHYLSCOPOLAMINE
ChEMBL Synonyms (-)-Scopolamine Methyl Bromide | Methylscopolamine
Max Phase 0
Trade Names
Molecular Formula C18H24NO4

Additional synonyms for CHEMBL376897 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO ...
Download SMILES
Standard InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22 ...
Download InChI
Standard InChI Key LZCOQTDXKCNBEE-IKIFYQGPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL376897

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.4 318.1705 -0.53 5 59.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.41 -2.41 1 23 0.59

Structural Alerts

There are 9 structural alerts for CHEMBL376897. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LZCOQTDXKCNBEE-IKIFYQGPSA-N
Wikipedia Methylscopolamine_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL376897



ACToR 13265-10-6
BindingDB 50241132
Brenda 89457
ChEBI 135361
DrugBank DB11315
DrugCentral 1757
EPA CompTox Dashboard DTXSID0046931
FDA SRS VDR09VTQ8U
IBM Patent System 568E90071F855F63B6D99261BE5CA5AE
PDBe 3C0
SureChEMBL SCHEMBL65398
ZINC ZINC000100047524

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