Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J05AF12
UNII: IN51MVP5F1

Structure

InChI Key GBBJCSTXCAQSSJ-XQXXSGGOSA-N
Smile Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13FN2O5
Molecular Weight 260.22
AlogP -1.57
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Protein P inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 3 D019694 ClinicalTrials
Hepatitis B, Chronic 3 D019694 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 163252-36-6
ChEBI 135964
ChEMBL CHEMBL458875
DrugBank DB06683
DrugCentral 4394
FDA SRS IN51MVP5F1
PubChem 73115
SureChEMBL SCHEMBL233494
ZINC ZINC000000001484