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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213351
CHEMBL1213351
Compound Name PROPOXYPHENE
ChEMBL Synonyms Prophene 65 | Kesso-Gesic | Darvon-N | Dolene | Darvon | Propoxyphene | Levopropoxyphene | Propoxyphene HCl | Dextropropoxyphene | Propoxyphene napsylate | Dextro Propoxyphene HCl | Levopropoxyphene napsylate | Dextropropoxiphene Chloride | Propoxyphene Hydrochloride 65 | Levopropoxyphene napsylate anhydrous | Levopropoxyphene napsylate, anhydrous
Max Phase 4 (Approved)
Trade Names Darvon | Dolene | Darvon-N | Kesso-Gesic | Prophene 65 | Propoxyphene HCl | Propoxyphene Hydrochloride 65
Molecular Formula C22H29NO2

Additional synonyms for CHEMBL1213351 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2
Standard InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10- ...
Download InChI
Standard InChI Key XLMALTXPSGQGBX-GCJKJVERSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mu opioid receptor agonist Mu opioid receptor DailyMed PubMed

Molecule Features

CHEMBL1213351 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL1213351. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1213351

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
339.5 339.2198 4.71 9 29.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.2 4.1 2.32 2 25 0.62

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AC - Diphenylpropylamine derivatives
N02AC04 - dextropropoxyphene

ChemSpider ChemSpider:XLMALTXPSGQGBX-GCJKJVERSA-N
DailyMed propoxyphene hydrochloride propoxyphene napsylate
Wikipedia Dextropropoxyphene Levopropoxyphene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213351



ACToR 469-62-5 21086-94-2
BindinDB 82269
ChEBI 51173
DrugBank DB00647
FDA SRS S2F83W92TK
Guide to Pharmacology 7593
IBM Patent System EB4E6853BF02F5362CF35B5494DBECA8
IBM Patents EP2239566A2 US6294192 US20100168238 US6022875 US4067774 EP1827495A2 WO2008145120A1 EP1971367A2 WO2003015754A1 EP2139848A1 US5312970 EP1369113B1 EP0720744A1 US4777174 EP0649657A1 EP1844000B1 WO2005012873A2 US20100145317 EP2229157A1 US4920221 US20070066873 EP0621777A1 WO2003000766A1 US20050027462 US7169388 US20070190141 US20100209525 US20040197417 EP1845956A1 EP1883451B1 US20080243103 EP1334086B1 EP1649857A2 WO2009022231A2 WO2004019868A2 EP1663142A2 EP1545538A2 EP1981921A2 US20060258917 WO2005086960A2 US20060148903 US7774145 US20100023064 US20030139417 US4188495 EP1850836A1 EP1951304A1 US7625886 US20050075300 US20040247674 US20030139418 US20080063719 US7407963 EP1815846A2 WO2001039756A1 US20010036946 US20090215844 US20040176298 EP1001024A2 WO1997041837A2 EP1663164A2 US20100159007 US20020110585 US6677352 EP1800609B1 WO2006121861A2 US20080287406 WO2004104076A1 WO2007017764A2 WO2009089011A2 US20090143376 WO2003094900A1 US20060120962 US4174396 WO2010129689A1 US7771707 EP1879593A2 WO1993000811A1 US20090259039 WO2006121904A1 US20080161309 US5910319 US20090204341 US20090252708 WO2009038533A1 US20090215857 EP2065381A1 US20080119704 US20080064694 US7109196 US4680404 US20020009486 US20100160349 US20050267176 US20030181695 EP1432711A1 EP1802282A1 EP2249807A2 US20090163480 US20090291900
Nikkaji J5.928E
PubChem 10100
PubChem: Thomson Pharma 15025964
SureChEMBL SCHEMBL25405

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