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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2165401
CHEMBL2165401
Compound Name
ChEMBL Synonyms (+)-Corydaline
Max Phase 0
Trade Names
Molecular Formula C22H27NO4

Additional synonyms for CHEMBL2165401 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN3Cc4c(OC)c(OC)ccc4[C@H](C)[C@@H]3c2cc1OC
Standard InChI InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23- ...
Download InChI
Standard InChI Key VRSRXLJTYQVOHC-YEJXKQKISA-N

Sources

  • GSK Kinetoplastid Screening
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2165401

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
369.5 369.194 3.94 4 40.16 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.57 1.19 1.13 2 27 0.82

Structural Alerts

There are no structural alerts for CHEMBL2165401

Compound Cross References

ChemSpider ChemSpider:VRSRXLJTYQVOHC-YEJXKQKISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2165401



ChEBI 14027
ChemicalBook CB6496719
eMolecules 1937950
EPA CompTox Dashboard DTXSID90199735
FDA SRS 08N392L8VX
IBM Patent System 7480C47450A1A1332A3A626B64E032F7
KEGG Ligand C15530
Mcule MCULE-6042650831
Metabolights MTBLC14027
MolPort MolPort-001-740-784
Nikkaji J86.101D J34.125H
PubChem 101301
PubChem: Thomson Pharma 135676687
Rhea 14027
SureChEMBL SCHEMBL230676
ZINC ZINC000025692299

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