mycophenolic acid

Ligand id: 6832

Name: mycophenolic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 93.06
Molecular weight 320.13
XLogP 1.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (2009))
Prodrug mycophenolate mofetil
IUPAC Name
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
International Nonproprietary Names
INN number INN
2950 mycophenolic acid
Synonyms
ERL-080 | Myfortic® (mycophenolate sodium)
Database Links
CAS Registry No. 24280-93-1
ChEBI CHEBI:168396
ChEMBL Ligand CHEMBL866
DrugBank Ligand DB01024
PubChem CID 446541
RCSB PDB Ligand MOA
Search Google for chemical match using the InChIKey HPNSFSBZBAHARI-RUDMXATFSA-N
Search Google for chemicals with the same backbone HPNSFSBZBAHARI
Search PubMed clinical trials mycophenolic acid
Search PubMed titles mycophenolic acid
Search PubMed titles/abstracts mycophenolic acid
Search UniChem for chemical match using the InChIKey HPNSFSBZBAHARI-RUDMXATFSA-N
Search UniChem for chemicals with the same backbone HPNSFSBZBAHARI
Wikipedia Mycophenolic_acid
Comments
An antibiotic substance derived from Penicillium stoloniferum, and related species. Inhibits inosine-5'-monophosphate dehydrogenase (IMPDH).