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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL425723
CHEMBL425723
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H20N2O3

Additional synonyms for CHEMBL425723 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c2ccccc2
Standard InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12( ...
Download InChI
Standard InChI Key OGMKEJTXCCFISS-MROQNXINSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL425723

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
252.3 252.1474 -0.72 5 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
- 9.13 -.08 -1.91 1 18 0.48

Structural Alerts

There are no structural alerts for CHEMBL425723

Compound Cross References

ChemSpider ChemSpider:OGMKEJTXCCFISS-MROQNXINSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL425723



BindingDB 50168988
Brenda 6284
ChEBI 42787
PDBe GB1
PubChem 11425273
PubChem: Thomson Pharma 16522362
SureChEMBL SCHEMBL13808578

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