mycophenolate mofetil

Ligand id: 6831

Name: mycophenolate mofetil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 94.53
Molecular weight 433.21
XLogP 0.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
Is prodrug? Yes
Active form mycophenolic acid
IUPAC Name
2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
Synonyms
Cellcept® | RS-61443 | RS-61443-190
Database Links
CAS Registry No. 128794-94-5
ChEMBL Ligand CHEMBL1456
DrugBank Ligand DB00688
PubChem CID 5281078
Search Google for chemical match using the InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
Search Google for chemicals with the same backbone RTGDFNSFWBGLEC
Search UniChem for chemical match using the InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
Search UniChem for chemicals with the same backbone RTGDFNSFWBGLEC
Wikipedia Mycophenolate_mofetil
Comments
Inhibits inosine-5'-monophosphate dehydrogenase (IMPDH)