MERICITABINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TA63JX8X52

Structure
InChI Key MLESJYFEMSJZLZ-MAAOGQSESA-N
Smile CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
InChI
InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26FN3O6
Molecular Weight 399.42
AlogP 1.22
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 122.74
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR RNA-directed RNA polymerase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 15.17
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -30.06--0.86

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 2 D006526 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 940908-79-2
ChEMBL CHEMBL562967
DrugBank DB12045
FDA SRS TA63JX8X52
PubChem 16122663
SureChEMBL SCHEMBL811260
ZINC ZINC000035307932
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