apadenoson

Ligand id: 3290

Name: apadenoson

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 174.71
Molecular weight 486.22
XLogP 1.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
8711 apadenoson
Synonyms
ATL-146e | BMS-068645
Database Links
CAS Registry No. 250386-15-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1950649
PubChem CID 9805430
Search Google for chemical match using the InChIKey FLEVIENZILQUKB-XTWQNQIISA-N
Search Google for chemicals with the same backbone FLEVIENZILQUKB
Search PubMed clinical trials apadenoson
Search PubMed titles apadenoson
Search PubMed titles/abstracts apadenoson
Search UniChem for chemical match using the InChIKey FLEVIENZILQUKB-XTWQNQIISA-N
Search UniChem for chemicals with the same backbone FLEVIENZILQUKB
Comments
There is some ambiguity in the literature and on other online resources as to the stereochemistry of apadenoson, therefore representations elsewhere may vary slightly from the structure shown here. Our structure is the same as that specified in [1], while the compound is shown on PubChem with CID 9805430.