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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL344127
CHEMBL344127
Compound Name
ChEMBL Synonyms GR-4661
Max Phase 0
Trade Names
Molecular Formula C23H27N3O2

Additional synonyms for CHEMBL344127 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
Standard InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21( ...
Download InChI
Standard InChI Key LBVZWEWTNUDWNS-YRNVUSSQSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL344127

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
377.5 377.2103 3.61 8 57.36 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.99 9.46 3.76 1.9 3 28 0.59

Structural Alerts

There are 4 structural alerts for CHEMBL344127. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LBVZWEWTNUDWNS-YRNVUSSQSA-N
PubChem SID: 124886949 SID: 26732631 SID: 50104602 SID: 50104603 SID: 90340790

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL344127



BindingDB 50054764
eMolecules 26754974
MolPort MolPort-003-941-553
PubChem 6160690
PubChem: Thomson Pharma 14853408
SureChEMBL SCHEMBL4784832
ZINC ZINC000000840177

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