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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:37924 - atazanavir
Main
ChEBI Ontology
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ChEBI Name
atazanavir
ChEBI ID
CHEBI:37924
Definition
A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).
Stars
This entity has been manually annotated by the ChEBI Team.
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Wikipedia
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Read full article at Wikipedia
Formula
C38H52N6O7
Net Charge
0
Average Mass
704.85550
Monoisotopic Mass
704.38975
InChI
InChI=1S/C38H52N6O7/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/h9-
21,29-
32,45H,22-
24H2,1-
8H3,(H,40,46)
(H,41,48)
(H,42,49)
(H,43,47)
/t29-
,30-
,31+,32+/m0/s1
InChIKey
AXRYRYVKAWYZBR-GASGPIRDSA-N
SMILES
COC(=O)
N[C@H]
(C(=O)
N[C@@H]
(Cc1ccccc1)
[C@@H]
(O)
CN(Cc1ccc(cc1)
-
c1ccccn1)
NC(=O)
[C@@H]
(NC(=O)
OC)
C(C)
(C)
C)
C(C)
(C)
C
Roles Classification
Biological Role
(s):
HIV protease inhibitor
An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application
(s):
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
atazanavir (
CHEBI:37924
)
has role
antiviral drug (
CHEBI:36044
)
atazanavir (
CHEBI:37924
)
has role
HIV protease inhibitor (
CHEBI:35660
)
atazanavir (
CHEBI:37924
)
is a
carbohydrazide (
CHEBI:35363
)
Incoming
atazanavir sulfate (
CHEBI:31243
)
has part
atazanavir (
CHEBI:37924
)
IUPAC Name
dimethyl (3
S
,8
S
,9
S
,12
S
)-
9-
benzyl-
3,12-
di-
tert
-
butyl-
8-
hydroxy-
4,11-
dioxo-
6-
[4-
(2-
pyridyl)benzyl]-
2,5,6,10,13-
pentaazatetradecanedioate
INNs
Sources
atazanavir
ChemIDplus
atazanavirum
ChEBI
Synonym
Source
ATZ
ChemIDplus
Brand Names
Sources
Latazanavir
DrugBank
Zrivada
DrugBank
Manual Xrefs
Databases
Atazanavir
Wikipedia
D07471
KEGG DRUG
DB01072
DrugBank
View more database links
Registry Numbers
Types
Sources
198904-31-3
CAS Registry Number
ChemIDplus
8101951
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15156449
PubMed citation
Europe PMC
15353575
PubMed citation
Europe PMC
15645003
PubMed citation
Europe PMC
15737947
PubMed citation
Europe PMC
17376023
PubMed citation
Europe PMC
17619250
PubMed citation
Europe PMC
18389089
PubMed citation
Europe PMC
24108452
PubMed citation
Europe PMC
24314017
PubMed citation
Europe PMC
25017682
PubMed citation
Europe PMC
Last Modified
15 September 2014