INARIGIVIR SOPROXIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 365052M0DK

Structure
InChI Key CJCYTUJOSMYXLE-JDLSZIHUSA-N
Smile CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChI
InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34N7O13PS
Molecular Weight 703.62
AlogP 0.27
Hydrogen Bond Acceptor 20.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 263.69
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 47.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 2 D019694 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 942123-43-5
ChEMBL CHEMBL1076930
DrugBank DB15063
FDA SRS 365052M0DK
PubChem 24737742
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