General Information of the Compound
Compound ID
CP0072917
Compound Name
Arzip
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Synonyms
CellCept
115007-34-6
128794-94-5
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
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)
9242ECW6R0
C23H31NO7
CHEBI:8764
CellCept
CellCept (TN)
CellCept, RS 61443, TM-MMF, Mycophenolate mofetil
Cellcept (TN)
HSDB 7436
ME-MPA
MMF
MMF CellCept(TM)
Munoloc
Mycophenolate mofetil
Mycophenolate mofetil (CellCept)
Mycophenolate mofetil (JAN/USAN)
Mycophenolatemofetil
Mycophenolic acid morpholinoethyl ester
Mycophenylate mofetil
Myfenax
R-99
RS 61443
RS-61443
RS-61443-190
TM-MMF
UNII-9242ECW6R0
mycophenolate mofetil
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Structure
Formula
C23H31NO7
Molecular Weight
433.501
Canonical SMILES
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1
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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+
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InChIKey
RTGDFNSFWBGLEC-SYZQJQIISA-N
CAS
128794-94-5
140401-05-4
115007-34-6
Physicochemical Property
logP
2.52402
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
94.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5281078
SID: 14758955
ChEMBL ID
CHEMBL1456
DrugBank ID
DB00688
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 83000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 76000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Mycophenolate mofetil )
Drug Name Mycophenolate mofetil
Company Roche
Indication
Organ transplant rejection
Approved
Pemphigus vulgaris
Phase 3
Immune System disease
Investigative
Target(s)
Prostaglandin E2 receptor EP2 (PTGER2)
 Target Info 
Modulator
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)
 Target Info 
Inhibitor
Drug 2 ( Mycophenolate mofetil )
Drug Name Mycophenolate mofetil
Indication
Middle East Respiratory Syndrome (MERS)
Investigative