CELGOSIVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: 895VG117HN

Structure
InChI Key HTJGLYIJVSDQAE-VWNXEWBOSA-N
Smile CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
InChI
InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21NO5
Molecular Weight 259.3
AlogP -1.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 90.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Alpha glucosidase inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Dengue 1 D003715 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 121104-96-9
ChEMBL CHEMBL2110737
DrugBank DB06580
EPA CompTox DTXSID70153153
FDA SRS 895VG117HN
PubChem 60734
SureChEMBL SCHEMBL135812
ZINC ZINC000003797478
CONTENTS