[3H]NECA

Ligand id: 425

Name: [3H]NECA    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 148.41
Molecular weight 308.12
XLogP -1.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Synonyms
[3H]adenosine-5'-(N-ethylcarboxamide)
Database Links
ChEMBL Ligand CHEMBL464859
PubChem CID 448222
RCSB PDB Ligand NEC
Search Google for chemical match using the InChIKey JADDQZYHOWSFJD-FLNNQWSLSA-N
Search Google for chemicals with the same backbone JADDQZYHOWSFJD
Search UniChem for chemical match using the InChIKey JADDQZYHOWSFJD-FLNNQWSLSA-N
Search UniChem for chemicals with the same backbone JADDQZYHOWSFJD
SynPHARM 1470 (in complex with A2A receptor)