General Information
Drug ID
DR00243
Drug Name
Mycophenolate mofetil
Synonyms
2-Morpholinoethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate; 2-Morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate; 2-morpholin-4-ylethyl (4E)-6-[4-hydroxy-7-methyl-6-(methyloxy)-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methylhex-4-enoate; 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate;4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E); CellCept; CellCept, RS 61443, TM-MMF, Mycophenolate mofetil; Cellcept (TN); ME-MPA; MMF; MMF CellCept(TM); Munoloc; Mycophenolate mofetil (JAN/USAN); Mycophenolic acid morpholinoethyl ester; Mycophenylate mofetil; R-99; RS 61443; RS-61443; RS-61443-190; TM-MMF
Drug Type
Small molecular drug
Indication Pemphigus vulgaris [ICD11:EB40.0] Approved [1]
Therapeutic Class
Immunosuppressive Agents
Structure
3D MOL 2D MOL
Formula
C23H31NO7
Canonical SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)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+
InChIKey
RTGDFNSFWBGLEC-SYZQJQIISA-N
CAS Number
CAS 128794-94-5
Pharmaceutical Properties Molecular Weight 433.5 Topological Polar Surface Area 94.5
Heavy Atom Count 31 Rotatable Bond Count 10
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
XLogP
3.2
PubChem CID
5281078
PubChem SID
10110 ,103524891 ,103831140 ,104253178 ,113854519 ,117622077 ,118053002 ,12014254 ,124757298 ,125164102 ,125275456 ,126592936 ,126621236 ,126622394 ,126651543 ,126669998 ,126682700 ,131295332 ,131297141 ,132003527 ,134338068 ,134339833 ,135016986 ,135039794 ,136949095 ,137004579 ,142385187 ,144075766 ,14758955 ,29215410 ,39289999 ,46505626 ,48416299 ,49830660 ,49976609 ,50064190 ,537396 ,56310881 ,56312885 ,57358003 ,62129612 ,623972 ,77319688 ,7847817 ,80954261 ,8616507 ,92308999 ,92718908 ,93619754 ,96099842
ChEBI ID
ChEBI:93612
TTD Drug ID
D04FBR
DT(s) Transporting This Drug BCRP Transporter Info Breast cancer resistance protein Substrate [2]
MRP2 Transporter Info Multidrug resistance-associated protein 2 Substrate [3]
OATP1B1 Transporter Info Organic anion transporting polypeptide 1B1 Substrate [3]
OATP1B3 Transporter Info Organic anion transporting polypeptide 1B3 Substrate [3]
P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Mycophenolic acid was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Influence of drug transporters and UGT polymorphisms on pharmacokinetics of phenolic glucuronide metabolite of mycophenolic acid in Japanese renal transplant recipients. Ther Drug Monit. 2008 Oct;30(5):559-64.
3 Influence of SLCO1B1, 1B3, 2B1 and ABCC2 genetic polymorphisms on mycophenolic acid pharmacokinetics in Japanese renal transplant recipients. Eur J Clin Pharmacol. 2007 Dec;63(12):1161-9.

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