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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H23N3O5
Molecular Weight 421.4458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEO-39652

SMILES

COC1=CC=C(N2N=C(N=C12)C3(CC3)C(=O)OCC(C)C)C4=CC5=C(C=C4)C(=O)OC5

InChI

InChIKey=LUUUHUYQTLUIDG-UHFFFAOYSA-N
InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C23H23N3O5
Molecular Weight 421.4458
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:37 UTC 2023
Edited
by admin
on Sat Dec 16 19:57:37 UTC 2023
Record UNII
MUY3M35C3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEO-39652
Code English
Cyclopropanecarboxylic acid, 1-[5-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-2-yl]-, 2-methylpropyl ester
Systematic Name English
LEO 39652
Code English
Code System Code Type Description
PUBCHEM
71611998
Created by admin on Sat Dec 16 19:57:38 UTC 2023 , Edited by admin on Sat Dec 16 19:57:38 UTC 2023
PRIMARY
FDA UNII
MUY3M35C3Q
Created by admin on Sat Dec 16 19:57:38 UTC 2023 , Edited by admin on Sat Dec 16 19:57:38 UTC 2023
PRIMARY
CAS
1445656-91-6
Created by admin on Sat Dec 16 19:57:38 UTC 2023 , Edited by admin on Sat Dec 16 19:57:38 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET->INHIBITOR OF RELEASE
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
PDE4D catalytic domain
IC50
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY