UPRIFOSBUVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JW31KPS26S

Structure
InChI Key SFPFZQKYPOWCSI-KHFYHRBSSA-N
Smile CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(Cl)[C@@H]1O)Oc1ccccc1
InChI
InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29ClN3O9P
Molecular Weight 545.91
AlogP 1.93
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 158.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 2 D006526 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1496551-77-9
ChEMBL CHEMBL3833371
DrugBank DB15206
FDA SRS JW31KPS26S
PubChem 90055716
SureChEMBL SCHEMBL15588599
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