RALTEGRAVIR POTASSIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 43Y000U234
Parent Compound: RALTEGRAVIR

Structure

InChI Key IFUKBHBISRAZTF-UHFFFAOYSA-M
Smiles Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)o1.[K+]
InChI
InChI=1S/C20H21FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20FKN6O5
Molecular Weight 482.51
AlogP 0.91
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 152.24
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

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
- 3.3-130 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus
- 2-7.1 - - 95.07
Human immunodeficiency virus 1
0.26-32 3.3-130 - - 95.1
Human immunodeficiency virus type 2 (ISOLATE ROD)
16 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL518520
FDA SRS 43Y000U234
PubChem 23668479
SureChEMBL SCHEMBL15939218
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