riociguat

Ligand id: 5257

Name: riociguat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 138.07
Molecular weight 422.16
XLogP 2.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2013), EMA (2014))
IUPAC Name
methyl N-(4,6-diamino-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate
International Nonproprietary Names
INN number INN
8857 riociguat
Synonyms
Adempas® | BAY 63-2521
Database Links
CAS Registry No. 625115-55-1
ChEBI CHEBI:76018
ChEMBL Ligand CHEMBL2107834
GtoPdb PubChem SID 178101941
PubChem CID 11304743
Search Google for chemical match using the InChIKey WXXSNCNJFUAIDG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WXXSNCNJFUAIDG
Search PubMed clinical trials riociguat
Search PubMed titles riociguat
Search PubMed titles/abstracts riociguat
Search UniChem for chemical match using the InChIKey WXXSNCNJFUAIDG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WXXSNCNJFUAIDG
Wikipedia Riociguat
Comments
Riociguat is the first-in-class stimulator of soluble guanylate cyclase (sGC) class of drugs.