MARIBAVIR

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J05AX10
UNII: PTB4X93HE1

Structure
InChI Key KJFBVJALEQWJBS-XUXIUFHCSA-N
Smile CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
InChI
InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19Cl2N3O4
Molecular Weight 376.24
AlogP 1.77
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 99.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphotransferase pUL97 inhibitor PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 10.57
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 669 - - 4.86-97.67

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cytomegalovirus Infections 3 D003586 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 176161-24-3
ChEMBL CHEMBL515408
DrugBank DB06234
EPA CompTox DTXSID60170091
FDA SRS PTB4X93HE1
PubChem 471161
SureChEMBL SCHEMBL791309
ZINC ZINC000003824412
CONTENTS