DELEOBUVIR SODIUM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6X4T3L6431

Structure
InChI Key YJADTGFGJMFOLM-KJEVSKRMSA-M
Smile Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(/C=C/C(=O)[O-])cc21.[Na+]
InChI
InChI=1S/C34H33BrN6O3.Na/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2;/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43);/q;+1/p-1/b13-9+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H32BrN6NaO3
Molecular Weight 675.56
AlogP 6.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 114.93
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 44.0

Indications

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

Cross References

Resources Reference
ChEMBL CHEMBL3137315
FDA SRS 6X4T3L6431
PubChem 56955434
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