ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL59898
CHEMBL59898
Compound Name
ChEMBL Synonyms PD-102807
Max Phase 0
Trade Names
Molecular Formula C23H24N2O4

Additional synonyms for CHEMBL59898 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Standard InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21 ...
Download InChI
Standard InChI Key VDDUJINYXKGZLV-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL59898

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
392.5 392.1736 4.19 0 4 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 4.75 2.75 2.75 3 29 1 0.68

Compound Cross References

ChemSpider ChemSpider:VDDUJINYXKGZLV-UHFFFAOYSA-N
Wikipedia PD-102,807

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL59898



eMolecules 8318483
SureChem SureCN5071655
PubChem: Thomson Pharma 14878640
PubChem 4995951

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