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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27BrFNO2
Molecular Weight 448.368
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ro-48-8071

SMILES

CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C

InChI

InChIKey=CMYCCJYVZIMDFU-UHFFFAOYSA-N
InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3

HIDE SMILES / InChI

Molecular Formula C23H27BrFNO2
Molecular Weight 448.368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P48449
Gene ID: 4047.0
Gene Symbol: LSS
Target Organism: Homo sapiens (Human)
5.7 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells.
2012 Jun 14
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:40 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:40 GMT 2023
Record UNII
YDR69X9Q9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ro-48-8071
Code English
Ro 48-8071
Code English
Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
1949
Created by admin on Sat Dec 16 11:46:40 GMT 2023 , Edited by admin on Sat Dec 16 11:46:40 GMT 2023
PRIMARY
DRUG BANK
DB02016
Created by admin on Sat Dec 16 11:46:40 GMT 2023 , Edited by admin on Sat Dec 16 11:46:40 GMT 2023
PRIMARY
CAS
161582-11-2
Created by admin on Sat Dec 16 11:46:40 GMT 2023 , Edited by admin on Sat Dec 16 11:46:40 GMT 2023
PRIMARY
FDA UNII
YDR69X9Q9M
Created by admin on Sat Dec 16 11:46:40 GMT 2023 , Edited by admin on Sat Dec 16 11:46:40 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
IC50
Related Record Type Details
ACTIVE MOIETY