GS-6620

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WD5DUG7X38

Structure
InChI Key YAAQYJCOIFNMKX-RSTNYOGXSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 1 D019698 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 1350735-70-4
ChEMBL CHEMBL3120793
DrugBank DB15222
FDA SRS WD5DUG7X38
PubChem 58059494
SureChEMBL SCHEMBL10142654
ZINC ZINC000150606858
CONTENTS