isobutylmethylxanthine

Ligand id: 388

Name: isobutylmethylxanthine

Abbreviated name: IBMX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 69.3
Molecular weight 222.11
XLogP 0.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Synonyms
methylisobutylxanthine
Database Links
BindingDB Ligand 15336
CAS Registry No. 28822-58-4
ChEBI CHEBI:43253, CHEBI:34795
ChEMBL Ligand CHEMBL275084
DrugBank Ligand DB07954
PubChem CID 3758
RCSB PDB Ligand IBM
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Wikipedia IBMX