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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL378437
CHEMBL378437
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H28N2O

Additional synonyms for CHEMBL378437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(N[C@@H]1CC[C@@H](OC1)C(c2ccccc2)c3ccccc3)c4ccc5[nH]ccc5c4
Standard InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14 ...
Download InChI
Standard InChI Key UJBRKEMHKNOCKI-AOYPEHQESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL378437

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
396.5 396.2202 5.64 6 37.05 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.14 5.43 3.58 4 30 0.44

Structural Alerts

There are no structural alerts for CHEMBL378437

Compound Cross References

ChemSpider ChemSpider:UJBRKEMHKNOCKI-AOYPEHQESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL378437



BindingDB 50190600
PubChem 11406821
PubChem: Thomson Pharma 16502459
SureChEMBL SCHEMBL15767781
ZINC ZINC000035953042

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