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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL188227
CHEMBL188227
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H24N2O3

Additional synonyms for CHEMBL188227 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]([C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C19H24N2O3/c22-16-12-20-15(19(16)24)11-21-17(13-7-3 ...
Download InChI
Standard InChI Key MAKKYIXPCPJUFC-MTHXSQLBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL188227

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
328.4 328.1787 0.9 6 84.75 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 5 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 9.13 1.59 -.16 2 24 0.54

Structural Alerts

There are no structural alerts for CHEMBL188227

Compound Cross References

ChemSpider ChemSpider:MAKKYIXPCPJUFC-MTHXSQLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL188227



BindingDB 50169002
PubChem 11290388
PubChem: Thomson Pharma 16377945
ZINC ZINC000040538184

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