ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL31410
CHEMBL31410
Compound Name CORYNANTHEINE
ChEMBL Synonyms Corynantheine | Corynanthine
Max Phase 0
Trade Names
Molecular Formula C21H26N2O3

Additional synonyms for CHEMBL31410 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5 ...
Download InChI
Standard InChI Key BLGXFZZNTVWLAY-DKJBZYCGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL31410

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
354.5 354.1943 2.65 1 65.56 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
- 8.44 2.87 1.72 2 26 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL31410. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BLGXFZZNTVWLAY-DKJBZYCGSA-N
PubChem SID: 11111717 SID: 11111718 SID: 26751946 SID: 50104622 SID: 56323956

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL31410



BindingDB 50027058
ChEBI 92122
eMolecules 536008
FDA SRS F5Z7C9RK8U
Guide to Pharmacology 5345
IBM Patent System 6C7A81F304D79595A9974A6FFE70574A
LINCS LSM-2124
Metabolights MTBLC92122
Nikkaji J5.984F
PubChem 92766
PubChem: Thomson Pharma 16831155
SureChEMBL SCHEMBL178061
ZINC ZINC000003861548

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