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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL402487
CHEMBL402487
Compound Name
ChEMBL Synonyms (+/-)-Noscapine
Max Phase 0
Trade Names
Molecular Formula C22H23NO7

Additional synonyms for CHEMBL402487 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34
Standard InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4) ...
Download InChI
Standard InChI Key AKNNEGZIBPJZJG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL402487

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
413.4 413.1475 2.88 4 75.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.32 2.38 2.35 2 30 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL402487. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AKNNEGZIBPJZJG-UHFFFAOYSA-N
PubChem SID: 7973067

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL402487



ChEBI 110185
eMolecules 729571 1972222
Human Metabolome Database HMDB0033441
IBM Patent System 4F839D3879F43C5C7E93C9466974A708 8A6B127880F922569BD352A93485AD7C
LINCS LSM-21629
Mcule MCULE-3932172947
MolPort MolPort-001-728-166
Nikkaji J1.359.361B
PubChem 4544
PubChem: Thomson Pharma 16588411
SureChEMBL SCHEMBL2494164

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