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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15476
CHEMBL15476
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H27NO2

Additional synonyms for CHEMBL15476 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3
Standard InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-1 ...
Download InChI
Standard InChI Key MXYUKLILVYORSK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL15476

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
337.5 337.2042 3.93 6 40.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.78 3.61 1.38 2 25 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL15476. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MXYUKLILVYORSK-UHFFFAOYSA-N
PubChem SID: 16953570
Wikipedia Lobeline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15476



BindingDB 50047021
eMolecules 1987505 8814152
IBM Patent System B5EDBD55F1A8EB5BFC0A94D3F43A33DB
LINCS LSM-6479
Mcule MCULE-9162664366
MolPort MolPort-003-249-713
PubChem 3945
PubChem: Thomson Pharma 14924689
SureChEMBL SCHEMBL290804

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