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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL328190
CHEMBL328190
Compound Name LASOFOXIFENE
ChEMBL Synonyms LASOFOXIFENE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C28H31NO2

Additional synonyms for CHEMBL328190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c3ccccc3)c4ccc(OCCN5CCCC5)cc4
Standard InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2- ...
Download InChI
Standard InChI Key GXESHMAMLJKROZ-IAPPQJPRSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL328190

Molecule Features

CHEMBL328190 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov LASOFOXIFENE
The Cochrane Collaboration LASOFOXIFENE

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 CHEMBL328190. 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
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL2056 Dopamine D1 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus 0.999
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.997
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.995
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.995
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.974
CHEMBL228 Serotonin transporter Homo sapiens 0.935
CHEMBL264 Histamine H3 receptor Homo sapiens 0.934
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.735
CHEMBL233 Mu opioid receptor Homo sapiens 0.670
CHEMBL238 Dopamine transporter Homo sapiens 0.639
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.586
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.322



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL206 Estrogen receptor alpha Homo sapiens 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL2056 Dopamine D1 receptor Homo sapiens 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 1.000
CHEMBL5525 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 1.000
CHEMBL228 Serotonin transporter Homo sapiens 0.999
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.995
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.994
CHEMBL233 Mu opioid receptor Homo sapiens 0.990
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.990
CHEMBL264 Histamine H3 receptor Homo sapiens 0.989
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.977
CHEMBL238 Dopamine transporter Homo sapiens 0.977

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
413.6 413.2355 6.25 6 32.7 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
10.31 9.62 5.37 3.2 3 31 0.52

Structural Alerts

There are no structural alerts for CHEMBL328190

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03X - OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03XC - Selective estrogen receptor modulators
G03XC03 - lasofoxifene

ChemSpider ChemSpider:GXESHMAMLJKROZ-IAPPQJPRSA-N
Wikipedia Lasofoxifene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL328190



ACToR 180916-16-9
BindingDB 20606
DrugBank DB06202
eMolecules 8758995
EPA CompTox Dashboard DTXSID50171037
FDA SRS 337G83N988
Guide to Pharmacology 7542
IBM Patent System B83C8E86CDFB89D3BA42B0C6833325F7
Nikkaji J992.677A
PDBe C3D
PubChem 216416
PubChem: Thomson Pharma 14904412 14831231
SureChEMBL SCHEMBL26815
ZINC ZINC000003918428

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