INARIGIVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TQ0A9FIV71

Structure
InChI Key LYMICVBGNUEHGE-FUQPUAIBSA-N
Smile CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChI
InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N7O10PS
Molecular Weight 587.51
AlogP -1.05
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 228.16
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 39.0

Indications

Mesh Heading Maximum Phase Reference
Hepatitis; Hepatitis A; Hepatitis B; Hepatitis B, Chronic; Hepatitis, Chronic Phase 2 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 475650-36-3
ChEMBL CHEMBL1084430
DrugBank DB15062
FDA SRS TQ0A9FIV71
PubChem 6912016
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