RALTEGRAVIR POTASSIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 43Y000U234
Parent Compound: RALTEGRAVIR

Structure
InChI Key IFUKBHBISRAZTF-UHFFFAOYSA-M
Smile 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

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 integrase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3-130 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
13.94
Injury, poisoning and procedural complications
12.93
General disorders and administration site conditions
11.25
Nervous system disorders
6.25
Gastrointestinal disorders
4.88
Investigations
4.79
Infections and infestations
4.69
Psychiatric disorders
4.08
Skin and subcutaneous tissue disorders
3.74
Respiratory, thoracic and mediastinal disorders
3.17
Vascular disorders
3.13
Congenital, familial and genetic disorders
3.03
Musculoskeletal and connective tissue disorders
3.03
Metabolism and nutrition disorders
2.95
Cardiac disorders
2.64
Hepatobiliary disorders
2.21
Renal and urinary disorders
2.21
Immune system disorders
2.15

Cross References

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