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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL301327
CHEMBL301327
Compound Name LEVORMELOXIFENE
ChEMBL Synonyms LEVORMELOXIFENE
Max Phase 0
Trade Names
Molecular Formula C30H35NO3

Additional synonyms for CHEMBL301327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[C@H]([C@H](c3ccccc3)C(C)(C)Oc2c1)c4ccc(OCCN5CCCC5)c ...
Download SMILES
Standard InChI InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-2 ...
Download InChI
Standard InChI Key XZEUAXYWNKYKPL-WDYNHAJCSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL301327

Molecule Features

CHEMBL301327 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov LEVORMELOXIFENE
The Cochrane Collaboration LEVORMELOXIFENE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL301327. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL206 Estrogen receptor alpha Homo sapiens 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL240 HERG Homo sapiens 0.979
CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus 0.978
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.662
CHEMBL287 Sigma opioid receptor Homo sapiens 0.401
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.233
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.218



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL206 Estrogen receptor alpha Homo sapiens 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.993
CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus 0.986
CHEMBL240 HERG Homo sapiens 0.983
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.959
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.929
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.518
CHEMBL287 Sigma opioid receptor Homo sapiens 0.518
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.425
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.416
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.379
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.360
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.272
CHEMBL264 Histamine H3 receptor Homo sapiens 0.253

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
457.6 457.2617 6.13 7 30.93 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.61 6.21 4.04 3 34 0.43

Structural Alerts

There are no structural alerts for CHEMBL301327

Compound Cross References

ChemSpider ChemSpider:XZEUAXYWNKYKPL-WDYNHAJCSA-N
PubChem SID: 144206269
Wikipedia Levormeloxifene Ormeloxifene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL301327



ACToR 78994-23-7 31477-60-8
EPA CompTox Dashboard DTXSID6046844
FDA SRS 9512UKZ352
IBM Patent System 7E446106FA0C7EF4C9D6676310214E03
Nikkaji J338.734H
PubChem 35805
PubChem: Drugs of the Future 12014975 12012799
PubChem: Thomson Pharma 14858010 14760245
SureChEMBL SCHEMBL107914
ZINC ZINC000001730388

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