MYCOPHENOLATE MOFETIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 9242ECW6R0
EPA CompTox DTXSID3023340

Structure

InChI Key RTGDFNSFWBGLEC-SYZQJQIISA-N
Smiles COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2
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+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31NO7
Molecular Weight 433.5
AlogP 2.52
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 94.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor INHIBITOR PubMed PubMed PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 50 - - -
Human coronavirus NL63
230 - - - -
Mus musculus
- 500 - - -

Target Conservation

Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH)
Description: Inosine-5'-monophosphate dehydrogenase 2
Organism : Homo sapiens
P12268 ENSG00000178035
Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH)
Description: Inosine-5'-monophosphate dehydrogenase 1
Organism : Homo sapiens
P20839 ENSG00000106348

Related Entries

Cross References

Resources Reference
ChEBI 8764
ChEMBL CHEMBL1456
DrugBank DB00688
DrugCentral 1859
FDA SRS 9242ECW6R0
Human Metabolome Database HMDB0014826
Guide to Pharmacology 6831
KEGG C07908
PharmGKB PA450566
PubChem 5281078
SureChEMBL SCHEMBL4195
ZINC ZINC000021297660
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