MRE-269

Ligand id: 5852

Name: MRE-269

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 75.55
Molecular weight 419.22
XLogP 6.86
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug selexipag
IUPAC Name
2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]acetic acid
Synonyms
ACT 333679 | ACT-333679 | MRE 269
Database Links
CAS Registry No. 475085-57-5 (source: SciFinder)
ChEMBL Ligand CHEMBL239226
PubChem CID 9931891
Search Google for chemical match using the InChIKey OJQMKCBWYCWFPU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OJQMKCBWYCWFPU
Search UniChem for chemical match using the InChIKey OJQMKCBWYCWFPU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OJQMKCBWYCWFPU
Comments
MRE-269 is the active metabolite of the approved drug selexipag.