RADALBUVIR

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 273K4V0SPC

Structure

InChI Key MUICUPWICXUNRS-GDCCIXDYSA-N
Smiles CC1=CC[C@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@](O)(CO[C@H]3CCOC3)CC2)CC1
InChI
InChI=1S/C30H41NO6S/c1-20-5-7-21(8-6-20)27(32)31(25-17-24(11-13-29(2,3)4)38-26(25)28(33)34)22-9-14-30(35,15-10-22)19-37-23-12-16-36-18-23/h5,17,21-23,35H,6-10,12,14-16,18-19H2,1-4H3,(H,33,34)/t21-,22-,23-,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H41NO6S
Molecular Weight 543.73
AlogP 5.4
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 96.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor INHIBITOR PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus (isolate H77)
2.9-128 - - - -
Hepatitis C virus subtype 1b
6-14 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3121539
DrugBank DB12065
FDA SRS 273K4V0SPC
PubChem 53259022
SureChEMBL SCHEMBL12444696
ZINC ZINC000103267239
CONTENTS