mycophenolate mofetil   Click here for help

GtoPdb Ligand ID: 6831

Synonyms: Cellcept® | RS-61443 | RS-61443-190
Approved drug Immunopharmacology Ligand
mycophenolate mofetil is an approved drug (FDA (1995), EMA (1996))
Compound class: Synthetic organic
Comment: Inhibits inosine-5'-monophosphate dehydrogenase (IMPDH)
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 94.53
Molecular weight 433.21
XLogP 1.98
No. Lipinski's rules broken 0
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Canonical SMILES COc1c(CC=C(CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O
Isomeric SMILES COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)\C)c(O)c2c(c1C)COC2=O
InChI InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995), EMA (1996))
Is prodrug? Yes
Active form mycophenolic acid
IUPAC Name Click here for help
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 Click here for help
Cellcept® | RS-61443 | RS-61443-190
Database Links Click here for help
CAS Registry No. 128794-94-5
ChEMBL Ligand CHEMBL1456
DrugBank Ligand DB00688
DrugCentral Ligand 1859
GtoPdb PubChem SID 178103437
Immunopaedia Search mycophenolate mofetil
PubChem CID 5281078
Search Google for chemical match using the InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
Search Google for chemicals with the same backbone RTGDFNSFWBGLEC
UniChem Compound Search for chemical match using the InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
UniChem Connectivity Search for chemical match using the InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
Wikipedia Mycophenolate_mofetil

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Mycophenolate mofetil (links to external site)
Cat. No. 4102