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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL319236
CHEMBL319236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H25NO3

Additional synonyms for CHEMBL319236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1CC[C@H]2CN(CC3CC3)CC[C@]24[C@H]1Oc5c(O)cccc45
Standard InChI InChI=1S/C19H25NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13- ...
Download InChI
Standard InChI Key KTXMLKWFHNEBJM-FDARSICLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL319236

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
315.4 315.1834 2.28 2 52.93 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.47 9.34 1.26 -.71 1 23 0.88

Structural Alerts

There are no structural alerts for CHEMBL319236

Compound Cross References

ChemSpider ChemSpider:KTXMLKWFHNEBJM-FDARSICLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL319236



BindingDB 50037131
PubChem 10448420
PubChem: Thomson Pharma 15469650
ZINC ZINC000013738595

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