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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200938
CHEMBL1200938
Compound Name METHYSERGIDE MALEATE
ChEMBL Synonyms SANSERT
Max Phase 0
Trade Names
Molecular Formula C25H31N3O6

Additional synonyms for CHEMBL1200938 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 ...
Download SMILES
Standard InChI InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16 ...
Download InChI
Standard InChI Key LWYXFDXUMVEZKS-ZVFOLQIPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1200938

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
353.5 353.2103 1.94 4 57.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.15 1.81 1.67 2 26 0.88

Structural Alerts

There are no structural alerts for CHEMBL1200938

Compound Cross References

ChemSpider ChemSpider:LWYXFDXUMVEZKS-ZVFOLQIPSA-N
PubChem SID: 26663040 SID: 56422124 SID: 855989

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200938



ACToR 1257-58-5 129-49-7
ChEBI 6894
eMolecules 26750324
FDA SRS 2U7H1466GH
Metabolights MTBLC6894
MolPort MolPort-003-958-638
PubChem 5281073

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