GS-6620

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Synonyms
Status
Molecule Category Free-form
UNII WD5DUG7X38

Structure

InChI Key YAAQYJCOIFNMKX-RSTNYOGXSA-N
Smiles CC(C)OC(=O)[C@H](C)N[P@+]([O-])(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1
InChI
InChI=1S/C29H37N6O9P/c1-17(2)26(36)42-24-22(43-29(15-30,28(24,6)38)23-13-12-21-25(31)32-16-33-35(21)23)14-40-45(39,44-20-10-8-7-9-11-20)34-19(5)27(37)41-18(3)4/h7-13,16-19,22,24,38H,14H2,1-6H3,(H,34,39)(H2,31,32,33)/t19-,22+,24+,28+,29-,45-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H37N6O9P
Molecular Weight 644.62
AlogP 2.88
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 209.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 45.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus subtype 1a
68-94 - - - -
Hepatitis C virus subtype 1b
68-310 - - - -
Hepatitis C virus subtype 2a
68 - - - -
Hepatitis C virus subtype 2b
68 - - - -
Hepatitis C virus subtype 3a
68 - - - -
Hepatitis C virus subtype 4a
68 - - - -
Hepatitis C virus subtype 5a
68 - - - -
Hepatitis C virus subtype 6a
68 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3120793
DrugBank DB15222
FDA SRS WD5DUG7X38
PubChem 58059494
SureChEMBL SCHEMBL10142654
ZINC ZINC000150606858
CONTENTS