General Information of the Compound
Compound ID
CP0040732
Compound Name
(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
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Synonyms
Oporia
(-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol
(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
180915-78-0
180916-16-9
337G83N988
AC1L50OI
AKOS030241621
AN-3516
AZD9639
BCP03626
BCP9000842
BDBM20606
CHEMBL328190
CP 336156
CP-336,156
CTK8F1062
Cis-1R-(4'-pyrrolidinoethoxyphenyl)-2S-phenyl-6-hydroxy-1,2,3,4-tetrahydronaphthalene, tartrate salt
DB06202
DTXSID50171037
Fablyn
GTPL7542
GXESHMAMLJKROZ-IAPPQJPRSA-N
LASOFOXIFENE HCL
Lasofoxifene
Lasofoxifene [INN:BAN]
Lasofoxifene [INN]
Oporia
SCHEMBL26815
UNII-337G83N988
ZINC3918428
rac-Lasofoxifene
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Structure
Formula
C28H31NO2
Molecular Weight
413.561
Canonical SMILES
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
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InChI
InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
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InChIKey
GXESHMAMLJKROZ-IAPPQJPRSA-N
CAS
180916-16-9
Physicochemical Property
logP
5.7287
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 216416
SID: 14904412
ChEMBL ID
CHEMBL328190
DrugBank ID
DB06202
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00886, Estrogen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 3.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.3 nM
2 IC50 = 1.4 nM
Protein ID: PT00889, Estrogen receptor beta
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 13 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 24 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.8 nM
Clinical Information about the Compound
Drug 1 ( Lasofoxifene )
Drug Name Lasofoxifene
Company Pfizer
Indication
Osteoporosis
Approved
Virus infection
Discontinued in Phase 1
Target(s)
Respiratory syncytial virus protein F (RSV F)
 Target Info 
Modulator
Estrogen receptor (ESR)
 Target Info 
Modulator