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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

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
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