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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL440765
CHEMBL440765
Compound Name U-69593
ChEMBL Synonyms U-69593
Max Phase 0
Trade Names
Molecular Formula C22H32N2O2

Additional synonyms for CHEMBL440765 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)Cc4ccccc4
Standard InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12- ...
Download InChI
Standard InChI Key PGZRDDYTKFZSFR-ONTIZHBOSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL440765

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
356.5 356.2464 2.67 4 32.78 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.15 2.76 1.16 1 26 0.83

Structural Alerts

There are no structural alerts for CHEMBL440765

Compound Cross References

ChemSpider ChemSpider:PGZRDDYTKFZSFR-ONTIZHBOSA-N
PubChem SID: 144205579 SID: 170466866 SID: 26756545
Wikipedia U-69,593

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL440765



ACToR 96744-75-1
BindingDB 21130
ChEBI 73357
eMolecules 1933830
EPA CompTox Dashboard DTXSID3046326
FDA SRS J5S4K6TKTG
Guide to Pharmacology 1655 1656
IBM Patent System 97410823CBBF19B5683860294A50F809
Nikkaji J257.581G
PubChem 105104
PubChem: Thomson Pharma 50093889
SureChEMBL SCHEMBL726034
ZINC ZINC000002517042

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