GSK-364735

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Synonyms
Status
Molecule Category Free-form
UNII SXN0KXT60S

Structure

InChI Key QWLNINWUBHHOLU-UHFFFAOYSA-N
Smiles Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChI
InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18FN3O4
Molecular Weight 371.37
AlogP 1.09
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 104.45
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 integrase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3-11 26 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus
1.7 1.7-20 - - -
Human immunodeficiency virus 1
2-42 1.2-42 26 - -

Cross References

Resources Reference
ChEMBL CHEMBL1256978
DrugBank DB13119
FDA SRS SXN0KXT60S
PubChem 54718859
SureChEMBL SCHEMBL5545304
ZINC ZINC000102403694
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