Ligand Id: 388
Ligand name IBMX

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


Summary Biological activity References Structure Similar ligands Suppliers
Classification
Compound class Synthetic organic
DrugBank groups experimental
IUPAC Name
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Synonyms
3-Isobutyl-1-methylxanthine
isobutylmethylxanthine
Methylisobutylxanthine
Database Links
BindingDB Ligand 15336
CAS Registry No. 28822-58-4 (source: ChEBI)
ChEBI CHEBI:34795, CHEBI:43253
ChEMBL Ligand 108738
DrugBank Ligand DB07954
PubChem CID 3758
RCSB PDB Ligand IBM
Search Google for chemical match using the InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone APIXJSLKIYYUKG
Wikipedia IBMX
ZINC ZINC03861807

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