ELVITEGRAVIR

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J05AJ02
UNII 4GDQ854U53

Structure

InChI Key JUZYLCPPVHEVSV-LJQANCHMSA-N
Smiles COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
InChI
InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23ClFNO5
Molecular Weight 447.89
AlogP 4.28
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 88.76
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 integrase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1.8-50 - - 94.1-97.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus
1 3.8 - - -
Human immunodeficiency virus 1
0.21-900 1.3-50 - - 94.1-97.8
Human immunodeficiency virus type 2 (ISOLATE ROD)
3.8 - - - -

Cross References

Resources Reference
ChEBI 72289
ChEMBL CHEMBL204656
DrugBank DB09101
DrugCentral 4300
FDA SRS 4GDQ854U53
PDB ELV
PubChem 5277135
SureChEMBL SCHEMBL726252
ZINC ZINC000013682481
CONTENTS