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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26533
CHEMBL26533
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H39N3O2

Additional synonyms for CHEMBL26533 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCCNC(=O)C34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C ...
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Standard InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13 ...
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Standard InChI Key PRZPXKIXNNNNCD-DJICYOIISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL26533

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
425.6 425.3042 3.93 8 44.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.91 4.15 3.71 1 31 0.64

Structural Alerts

There are 3 structural alerts for CHEMBL26533. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PRZPXKIXNNNNCD-DJICYOIISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26533



BindingDB 50007170

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