BICTEGRAVIR SODIUM

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4L5MP1Y7W7

Structure
InChI Key WJNFBIVCQMPPJC-FQYDJHLKSA-M
Smile O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c([O-])c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2.[Na+]
InChI
InChI=1S/C21H18F3N3O5.Na/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28;/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30);/q;+1/p-1/t10-,11+,16+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H17F3N3NaO5
Molecular Weight 471.37
AlogP 1.63
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 integrase inhibitor FDA PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 4 D015658 FDA

Cross References

Resources Reference
ChEBI 172961
ChEMBL CHEMBL3989867
FDA SRS 4L5MP1Y7W7
PubChem 102593990
SureChEMBL SCHEMBL19991461
CONTENTS