MERIMEPODIB

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Synonyms
Status
Molecule Category Free-form
UNII 2ZL2BA06FU
EPA CompTox DTXSID70173639

Structure

InChI Key JBPUGFODGPKTDW-SFHVURJKSA-N
Smiles COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
InChI
InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24N4O6
Molecular Weight 452.47
AlogP 4.01
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 123.95
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Inosine-5'-monophosphate dehydrogenase 1 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 7-11 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 170-490 - - -
Zika virus
600 - - - -

Target Conservation

Protein: Inosine-5'-monophosphate dehydrogenase 1
Description: Inosine-5'-monophosphate dehydrogenase 1
Organism : Homo sapiens
P20839 ENSG00000106348

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL304087
DrugBank DB04862
FDA SRS 2ZL2BA06FU
Guide to Pharmacology 10741
PubChem 153241
SureChEMBL SCHEMBL329922
ZINC ZINC000003975663
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