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Details

Stereochemistry EPIMERIC
Molecular Formula C32H48BF5O4S
Molecular Weight 634.589
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZB-716

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4=CC(=CC=C34)B(O)O

InChI

InChIKey=FIAYIYKWRBIBQG-GDWZZRAASA-N
InChI=1S/C32H48BF5O4S/c1-30-17-15-26-25-12-11-24(33(40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-43(42)19-9-16-31(34,35)32(36,37)38/h11-12,21-22,26-29,39-41H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,43?/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H48BF5O4S
Molecular Weight 634.589
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:35:28 GMT 2025
Edited
by admin
on Wed Apr 02 08:35:28 GMT 2025
Record UNII
E35ZN95LMT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZB-716
Common Name English
FULVESTRANT-3-BORONIC ACID
Preferred Name English
B-((7.ALPHA.,17.BETA.)-17-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIEN-3-YL)BORONIC ACID
Systematic Name English
BORONIC ACID, B-((7.ALPHA.,17.BETA.)-17-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIEN-3-YL)-
Systematic Name English
ZB716
Common Name English
Code System Code Type Description
FDA UNII
E35ZN95LMT
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
WIKIPEDIA
ZB716
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
CAS
1853279-29-4
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
SMS_ID
300000052837
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID601107524
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
PUBCHEM
126480615
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
NCI_THESAURUS
C179265
Created by admin on Wed Apr 02 08:35:28 GMT 2025 , Edited by admin on Wed Apr 02 08:35:28 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
In vitro and in vivo pharmacological studies of ZB716 demonstrate it is a pure antagonist of the ER. It binds to the ER and degrades the protein in a dose-dependent manner.
IN-VITRO, IN-VIVO
TARGET->DEGRADER
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METABOLITE ACTIVE -> PARENT
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ACTIVE MOIETY