emapunil

Ligand id: 8704

Name: emapunil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 69.64
Molecular weight 401.19
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(phenylmethyl)acetamide
International Nonproprietary Names
INN number INN
8432 emapunil
Synonyms
AC-5216 | XBD-173 | XBD173
Database Links
CAS Registry No. 226954-04-7 (source: Scifinder)
ChEMBL Ligand CHEMBL513922
PubChem CID 6433109
Search Google for chemical match using the InChIKey NBMBIEOUVBHEBM-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey NBMBIEOUVBHEBM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NBMBIEOUVBHEBM
Wikipedia Emapunil