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Drug-Target Interaction

Drug

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PubChem ID:446541
Structure:
Synonyms:
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
(E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid
-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-
1jr1
24280-93-1
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5- isobenzofuranyl)-4-methyl-, (E)-
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)- (9CI)
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-
4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4- methyl-, (E)-
4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)-
4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)- (8CI)
4-Methyl-5-methoxy-7-hydroxy-6-(5-carboxy-3-methylpent-2-en-1-yl)-phthalide (E)-
483-60-3
6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)- 4-methyl-4-hexenoic acid
6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methylhex-4-enoic acid
6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisobenzofuran-6-yl)-4-methyl-4-hexanoic acid
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid (E)-
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthanlanyl)-4-methyl-4-hexanoic acid
Acide mycophenolique
Acide mycophenolique [INN-French]
Acido micofenolico
Acido micofenolico [INN-Spanish]
Acidum mycophenolicum
Acidum mycophenolicum [INN-Latin]
ACon0_000960
ACon1_000496
AIDS-007220
AIDS007220
BPBio1_000695
BSPBio_000631
BSPBio_002534
C17H20O6
CAS-24280-93-1
CCRIS 5565
CHEBI:168396
D05096
DB01024
EINECS 207-595-8
EINECS 246-119-3
I01-0943
IDI1_000146
Lilly 68618
Lilly-68618
LS-75578
Ly 68618
M3536_SIGMA
M5255_SIGMA
MEGxm0_000120
Melbex
Micofenolico acido
Micofenolico acido [Spanish]
MLS001074701
MOA
MPA
Mycophenoic acid
Mycophenolate
Mycophenolic acid
Mycophenolic Acid (MPA)
MYCOPHENOLIC ACID (unspecified stereochemistry)
Mycophenolic acid (USAN/INN)
Mycophenolic acid [USAN:BAN:INN]
MYCOPHENOLIC ACID, (E)-
Mycophenolsaeure
Myfortic
Myfortic (TN)
NCGC00016786-01
NCGC00016786-02
NCGC00016786-03
NCGC00025190-01
NCGC00025190-02
NCGC00025190-03
NCGC00025190-04
NCGC00025190-05
NCGC00025190-07
NCGC00025190-08
NCGC00025190-09
NSC 129185
NSC-129185
NSC129185
Prestwick2_000556
Prestwick3_000556
Prestwick_817
SDCCGMLS-0066618.P001
SMR000471887
SPECTRUM1500674
Spectrum5_001654
ST044516
TNP00198
Tocris-1505
UPCMLD-DP028
UPCMLD-DP028:001
ATC-Codes:

Target

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Uniprot ID:IMDH2_HUMAN
Synonyms:
IMP dehydrogenase 2
IMPD 2
IMPDH-II
Inosine-5'-monophosphate dehydrogenase 2
EC-Numbers:1.1.1.205
Organism:Homo sapiens
Human
PDB IDs:1B3O 1NF7 1NFB
Structure:
1NFB

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
----
----
----
--11-
--12-
--14-
--15-
--24.8-
--25.1-
6---
7---
10---
--16540

References:

10878285
Mycophenolate mofetil and its mechanisms of action.. A C Allison; E M Eugui (2000) Immunopharmacology display abstract
Mycophenolate mofetil (MMF, CellCept(R)) is a prodrug of mycophenolic acid (MPA), an inhibitor of inosine monophosphate dehydrogenase (IMPDH). This is the rate-limiting enzyme in de novo synthesis of guanosine nucleotides. T- and B-lymphocytes are more dependent on this pathway than other cell types are. Moreover, MPA is a fivefold more potent inhibitor of the type II isoform of IMPDH, which is expressed in activated lymphocytes, than of the type I isoform of IMPDH, which is expressed in most cell types. MPA has therefore a more potent cytostatic effect on lymphocytes than on other cell types. This is the principal mechanism by which MPA exerts immunosuppressive effects.Three other mechanisms may also contribute to the efficacy of MPA in preventing allograft rejection and other applications. First, MPA can induce apoptosis of activated T-lymphocytes, which may eliminate clones of cells responding to antigenic stimulation. Second, by depleting guanosine nucleotides, MPA suppresses glycosylation and the expression of some adhesion molecules, thereby decreasing the recruitment of lymphocytes and monocytes into sites of inflammation and graft rejection. Third, by depleting guanosine nucleotides MPA also depletes tetrahydrobiopterin, a co-factor for the inducible form of nitric oxide synthase (iNOS). MPA therefore suppresses the production by iNOS of NO, and consequent tissue damage mediated by peroxynitrite. CellCept(R) suppresses T-lymphocytic responses to allogeneic cells and other antigens. The drug also suppresses primary, but not secondary, antibody responses. The efficacy of regimes including CellCept(R) in preventing allograft rejection, and in the treatment of rejection, is now firmly established. CellCept(R) is also efficacious in several experimental animal models of chronic rejection, and it is hoped that the drug will have the same effect in humans.
18038969
Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylases for cancer treatment.. Liqiang Chen; Daniel Wilson; Hiremagalur N Jayaram; Krzysztof W Pankiewicz (2007) Journal of medicinal chemistry display abstract
Mycophenolic acid (MPA), an inhibitor of IMP-dehydrogenase (IMPDH), is used worldwide in transplantation. Recently, numerous studies showed its importance in cancer treatment. Consequently, MPA entered clinical trials in advanced multiple myeloma patients. Suberoylanilide hydroxamic acid (SAHA), a potent differentiation agent acting through inhibition of histone deacetylases (HDACs), was recently approved for treatment of cutaneous T cell lymphoma. We report herein the synthesis of dual inhibitors of IMPDH and HDACs. We found that mycophenolic hydroxamic acid (9, MAHA) inhibits both IMPDH (Ki=30 nM) and HDAC (IC50=5.0 microM). A modification of SAHA with groups known to interact with IMPDH afforded a SAHA analogue 14, which inhibits IMPDH (Ki=1.7 microM) and HDAC (IC50=0.06 microM). Both MAHA (IC50=4.8 microM) and SAHA analogue 14 (IC50=7.7 microM) were more potent than parent compounds as antiproliferation agents. They were also significantly more potent as differentiation inducers.
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