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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1808269
CHEMBL1808269
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H25N3O6

Additional synonyms for CHEMBL1808269 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ONC(=O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Nc3ccccc3)cc1
Standard InChI InChI=1S/C25H25N3O6/c29-23(28-32)17-33-21-13-11-18(12-14-21) ...
Download InChI
Standard InChI Key KYZSIUBPUAGVTF-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1808269

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
463.5 463.1743 3.05 10 125.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.11 .41 2.95 2.94 3 34 0.27

Structural Alerts

There are 9 structural alerts for CHEMBL1808269. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KYZSIUBPUAGVTF-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1808269



BindingDB 50349217
PubChem 46846372
PubChem: Thomson Pharma 99234724
ZINC ZINC000072177616

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