BICTEGRAVIR

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 8GB79LOJ07

Structure

InChI Key SOLUWJRYJLAZCX-LYOVBCGYSA-N
Smiles 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
InChI
InChI=1S/C21H18F3N3O5/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)/t10-,11+,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H18F3N3O5
Molecular Weight 449.39
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

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 integrase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 7.5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus
- 7.5 - - -
Human immunodeficiency virus 1
1 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 172943
ChEMBL CHEMBL3989866
DrugBank DB11799
DrugCentral 5274
FDA SRS 8GB79LOJ07
PDB KLQ
PubChem 90311989
SureChEMBL SCHEMBL15914278
CONTENTS