LETERMOVIR

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J05AX18
UNII 1H09Y5WO1F
EPA CompTox DTXSID40238683

Structure

InChI Key FWYSMLBETOMXAG-QHCPKHFHSA-N
Smiles COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
InChI
InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H28F4N4O4
Molecular Weight 572.56
AlogP 5.71
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 77.84
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Mechanism of Action Action Reference
DNA terminase inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cytomegalovirus
4.6 - - - -
Human betaherpesvirus 5
- 4 - - -
Human herpesvirus 5
1.8-6.1 - - - -
Human herpesvirus 5 strain AD169
1.3-5 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1241951
DrugBank DB12070
DrugCentral 5262
FDA SRS 1H09Y5WO1F
PubChem 45138674
SureChEMBL SCHEMBL379403
ZINC ZINC000100369359
CONTENTS