ABACAVIR SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1998)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 1PPL256S5A
Parent Compound: ABACAVIR

Structure
InChI Key MBFKCGGQTYQTLR-SCYNACPDSA-N
Smile Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O
InChI
InChI=1S/C14H18N6O.H2O4S/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t8-,10+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H38N12O6S
Molecular Weight 670.76
AlogP 1.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 101.88
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
AIDS Dementia Complex 3 D015526 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
12.37
Nervous system disorders
8.08
Infections and infestations
6.46
Skin and subcutaneous tissue disorders
6.31
Vascular disorders
6.17
Investigations
5.88
Immune system disorders
5.59
Gastrointestinal disorders
5.48
Injury, poisoning and procedural complications
5.05
Pregnancy, puerperium and perinatal conditions
4.65
Cardiac disorders
4.51
Respiratory, thoracic and mediastinal disorders
4.29
Metabolism and nutrition disorders
4.26
Psychiatric disorders
3.72
Musculoskeletal and connective tissue disorders
3.28
Renal and urinary disorders
3.03
Hepatobiliary disorders
2.6
Blood and lymphatic system disorders
2.53

Cross References

Resources Reference
ChEBI 2361
ChEMBL CHEMBL4303288
EPA CompTox DTXSID40894147
FDA SRS 1PPL256S5A
Guide to Pharmacology 4825
KEGG C07210
PDB AZZ
PubChem 441384
SureChEMBL SCHEMBL40817
ZINC ZINC03779042
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