GS-441524

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1BQK176DT6

Structure
InChI Key BRDWIEOJOWJCLU-LTGWCKQJSA-N
Smile N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13N5O4
Molecular Weight 291.27
AlogP -1.86
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 149.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials

Cross References

Resources Reference
ChEBI 147281
ChEMBL CHEMBL2016757
DrugBank DB15686
FDA SRS 1BQK176DT6
PDB U08
SureChEMBL SCHEMBL10120689
ZINC ZINC000084586789
CONTENTS