ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1215855
CHEMBL1215855
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H26N2O

Additional synonyms for CHEMBL1215855 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2
Standard InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(1 ...
Download InChI
Standard InChI Key HSIBGVUMFOSJPD-CFDPKNGZSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1215855

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
310.4 310.2045 4.26 2 28.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 4.65 2.66 2 23 0.9

Structural Alerts

There are no structural alerts for CHEMBL1215855

Compound Cross References

ChemSpider ChemSpider:HSIBGVUMFOSJPD-CFDPKNGZSA-N
Wikipedia Ibogaine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1215855



ACToR 17378-46-0
FDA SRS 3S814I130U
Nikkaji J9.327K
PubChem 197060
PubChem: Thomson Pharma 152145771 16037268 17160399
SureChEMBL SCHEMBL113571
ZINC ZINC000000402995

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