ATAZANAVIR SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4MT4VIE29P
Parent Compound: ATAZANAVIR

Structure
InChI Key DQSGVVGOPRWTKI-QVFAWCHISA-N
Smile COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O
InChI
InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H54N6O11S
Molecular Weight 802.95
AlogP 4.21
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 14.0
Polar Surface Area 171.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 51.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 4 D007239 ClinicalTrials

Related Entries

Parent
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
26.02
Injury, poisoning and procedural complications
13.26
General disorders and administration site conditions
6.29
Renal and urinary disorders
4.85
Congenital, familial and genetic disorders
4.64
Surgical and medical procedures
3.8
Nervous system disorders
3.64
Cardiac disorders
3.43
Investigations
3.43
Vascular disorders
3.42
Gastrointestinal disorders
3.17
Infections and infestations
3.07
Hepatobiliary disorders
2.92
Metabolism and nutrition disorders
2.69
Blood and lymphatic system disorders
2.49
Psychiatric disorders
2.3
Musculoskeletal and connective tissue disorders
2.04

Cross References

Resources Reference
ChEBI 31243
ChEMBL CHEMBL1200678
FDA SRS 4MT4VIE29P
KEGG D07471
PDB DR7
PubChem 158550
SureChEMBL SCHEMBL52068
ZINC ZINC03941496
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