Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R3B1994K2E

Structure

InChI Key NHKZSTHOYNWEEZ-AFCXAGJDSA-N
Smile N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChI
InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N5O4
Molecular Weight 243.22
AlogP -2.83
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 150.5
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Indications

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

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 119567-79-2
ChEBI 134989
ChEMBL CHEMBL2111108
DrugBank DB06408
DrugCentral 3582
EPA CompTox DTXSID80894181
FDA SRS R3B1994K2E
PubChem 451448
SureChEMBL SCHEMBL40670
ZINC ZINC000003781686