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Details

Stereochemistry ACHIRAL
Molecular Formula C26H20ClFN2O2
Molecular Weight 446.901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BRILANESTRANT

SMILES

CC\C(=C(\C1=CC=C(\C=C\C(O)=O)C=C1)C2=CC3=C(NN=C3)C=C2)C4=CC=C(F)C=C4Cl

InChI

InChIKey=BURHGPHDEVGCEZ-KJGLQBJMSA-N
InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+

HIDE SMILES / InChI
Molecular Formula C26H20ClFN2O2
Molecular Weight 446.901
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:13 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:13 UTC 2023
Record UNII
9MM2R1A06R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRILANESTRANT
INN   WHO-DD  
INN  
Official Name English
Brilanestrant [WHO-DD]
Common Name English
RG-6046
Code English
2-PROPENOIC ACID, 3-(4-((1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)-1-BUTEN-1-YL)PHENYL)-, (2E)-
Systematic Name English
(2E)-3-(4-((1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)-1-BUTEN-1-YL)PHENYL)-2-PROPENOIC ACID
Systematic Name English
BRILANESTRANT [USAN]
Common Name English
brilanestrant [INN]
Common Name English
ARN-810
Code English
(2E)-3-(4-((1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL- 5-YL)BUT-1-EN-1-YL)PHENYL)PROP-2-ENOIC ACID
Systematic Name English
GDC-0810
Code English
Classification Tree Code System Code
NCI_THESAURUS C2116
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL3545390
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
WIKIPEDIA
Brilanestrant
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
SMS_ID
100000170614
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
BRILANESTRANT
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY MedKoo CAT NO.: 206041, CAS N).: 1365888-06-7Description: GDC-0810, also known as ARN-810 and RG6046, an orally bioavailable Selective Estrogen Receptor Degrader (SERD) that demonstrates robust activity in tamoxifen-resistant breast cancer xenografts. GDC-0810 functions by binding to the estrogen receptor, inducing a conformational change resulting in the degradation of the receptor. GDC-0810 or ARN-810 demonstrates robust activity in models of tamoxifen-sensitive and tamoxifen-resistant breast cancer, and is currently in clinical trials in women with locally advanced or metastatic estrogen receptor-positive breast cancer. (Last update: 6/16/2016)Synonyms: GDC0810, GDC 0810, GDC-0810, ARN810, ARN 810, ARN-810, RG6046, RG-6046, RG 6046.
INN
10283
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
DRUG BANK
DB12253
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
FDA UNII
9MM2R1A06R
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
EVMPD
SUB184646
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
PUBCHEM
56941241
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID701336037
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
NCI_THESAURUS
C106235
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
USAN
EF-76
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
CAS
1365888-06-7
Created by admin on Sat Dec 16 09:03:14 UTC 2023 , Edited by admin on Sat Dec 16 09:03:14 UTC 2023
PRIMARY
Related Record Type Details
ESTROGEN RECEPTOR
TARGET->DEGRADER, SELECTIVE
Degrades 91% of Fulvestrant control
EC50
OATP-8
TRANSPORTER -> INHIBITOR
Ki
ESTROGEN RECEPTOR BETA
TARGET -> INHIBITOR
Binding assay
IC50
Structure of BRILANESTRANT N-METHYL-D-GLUCAMINE
SALT/SOLVATE -> PARENT
OATP1B1
TRANSPORTER -> INHIBITOR
Ki
ESTROGEN RECEPTOR
TARGET -> INHIBITOR
Binding assay
IC50
MCF-7 Cell Line
CELL->INHIBITOR
IC50
Related Record Type Details
Structure of Brilanestrant acyl glucuronide
METABOLITE -> PARENT
Relatively stable metabolite
MAJOR
Structure of Brilanestrant N-glucuronide
METABOLITE -> PARENT
Related Record Type Details
Structure of BRILANESTRANT
ACTIVE MOIETY
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