ADAFOSBUVIR

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII S83770Y75R

Structure

InChI Key NIJYGVDQZBBONK-SEUXLIJBSA-N
Smiles CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1
InChI
InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FN3O10P
Molecular Weight 545.46
AlogP 0.98
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 178.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor INHIBITOR PubMed PubMed Other Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus
40-70 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4129286
DrugBank DB14906
FDA SRS S83770Y75R
PubChem 118596336
SureChEMBL SCHEMBL17359926
CONTENTS