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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14309
CHEMBL14309
Compound Name ALPHAPRODINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H23NO2

Additional synonyms for CHEMBL14309 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)O[C@]1(CCN(C)C[C@H]1C)c2ccccc2
Standard InChI InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17 ...
Download InChI
Standard InChI Key UVAZQQHAVMNMHE-CJNGLKHVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14309

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
261.4 261.1729 2.69 4 29.54 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.34 2.49 2.22 1 19 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL14309. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UVAZQQHAVMNMHE-CJNGLKHVSA-N
Wikipedia Prodine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14309



ACToR 15867-21-7
DrugBank DB13160
IBM Patent System EB12E182F35C796EE09E4482568DBF7F
Nikkaji J20.606G
PubChem 204163
SureChEMBL SCHEMBL248367
ZINC ZINC000004626719

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