U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H22N4O3
Molecular Weight 354.403
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICI-89406

SMILES

OC(CNCCNC(=O)NC1=CC=CC=C1)COC2=CC=CC=C2C#N

InChI

InChIKey=HTLWRKRZKFAAAH-UHFFFAOYSA-N
InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
5.69 null [pKd]
7.07 null [pKd]
8.91 null [pKd]
Name Type Language
ICI-89406
Common Name English
UREA, N-(2-((3-(2-CYANOPHENOXY)-2-HYDROXYPROPYL)AMINO)ETHYL)-N'-PHENYL-
Systematic Name English
Code System Code Type Description
CAS
53671-71-9
Created by admin on Sat Dec 16 10:36:24 UTC 2023 , Edited by admin on Sat Dec 16 10:36:24 UTC 2023
PRIMARY
PUBCHEM
123686
Created by admin on Sat Dec 16 10:36:24 UTC 2023 , Edited by admin on Sat Dec 16 10:36:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID50968444
Created by admin on Sat Dec 16 10:36:24 UTC 2023 , Edited by admin on Sat Dec 16 10:36:24 UTC 2023
PRIMARY
FDA UNII
C027IY98WE
Created by admin on Sat Dec 16 10:36:24 UTC 2023 , Edited by admin on Sat Dec 16 10:36:24 UTC 2023
PRIMARY