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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2111022
CHEMBL2111022
Compound Name QUADAZOCINE
ChEMBL Synonyms QUADAZOCINE MESYLATE | WIN 44,441-3
Max Phase 0
Trade Names
Molecular Formula C25H37NO2

Additional synonyms for CHEMBL2111022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1C2(C)CCC(=O)CCC4CCCC4
Standard InChI InChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-2 ...
Download InChI
Standard InChI Key LOYWOYCPSWPKFH-ZXABPTRBSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2111022

Molecule Features

CHEMBL2111022 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov QUADAZOCINE
The Cochrane Collaboration QUADAZOCINE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
383.6 383.2824 5.29 6 40.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.08 9.17 4.85 3.24 1 28 0.73

Structural Alerts

There are 3 structural alerts for CHEMBL2111022. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LOYWOYCPSWPKFH-ZXABPTRBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2111022



PubChem 3052770

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