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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL248393
CHEMBL248393
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H33N5O2

Additional synonyms for CHEMBL248393 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2c(N[C@@H]3C[C@H]3c4ccccc4)c(cnc2cc1OCCCN5CCN(C)CC5)C# ...
Download SMILES
Standard InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17- ...
Download InChI
Standard InChI Key YSFGCARYACLFDS-WIOPSUGQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL248393

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
471.6 471.2634 4.1 9 73.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.63 3.53 2.97 3 35 0.47

Structural Alerts

There are 1 structural alerts for CHEMBL248393. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YSFGCARYACLFDS-WIOPSUGQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL248393



BindingDB 50221531
PubChem 23661662
PubChem: Thomson Pharma 46535152 56339195
ZINC ZINC000028952925

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