Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C29H51N5O4.ClH |
Molecular Weight | 570.207 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CNCC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CCC(C)C)C(=O)NC(C)(C)C)C(C)(C)C
InChI
InChIKey=IYKXRORSPVZSHP-ZELIPEIJSA-N
InChI=1S/C29H51N5O4.ClH/c1-20(2)15-16-34(27(38)33-29(6,7)8)19-23(35)22(17-21-13-11-10-12-14-21)31-26(37)25(28(3,4)5)32-24(36)18-30-9;/h10-14,20,22-23,25,30,35H,15-19H2,1-9H3,(H,31,37)(H,32,36)(H,33,38);1H/t22-,23+,25+;/m0./s1
Molecular Formula | C29H51N5O4 |
Molecular Weight | 533.7463 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Droxinavir is hydroxyethylurea human immunodeficiency virus type 1 (HIV-1) protease inhibitor. Position 88 of HIV-1 protease gene plays a key role in the interaction between droxinavir and the protease molecule. A mutation in this position, located outside the active site, confers resistance to the hydroxyethylurea inhibitor droxinavir. The V82A and N88S substitutions conferred droxinavir resistance on HIV-1 recombinant variants. Positions 82 and 88 are reported to be variable in natural populations isolated from patients who have not been treated with protease inhibitors. Droxinavir had been in preclinical phase for the treatment of HIV-1 infection. However, this study was discontinued.
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Protease inhibitors: where are they now? | 1995 Jan |
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A mutation in human immunodeficiency virus type 1 protease at position 88, located outside the active site, confers resistance to the hydroxyethylurea inhibitor SC-55389A. | 1997 Mar |
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Estimate of the frequency of human immunodeficiency virus type 1 protease inhibitor resistance within unselected virus populations in vitro. | 1998 Feb |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:09:55 GMT 2023
by
admin
on
Fri Dec 15 16:09:55 GMT 2023
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Record UNII |
7QZA627US7
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
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NCI_THESAURUS |
C97366
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7QZA627US7
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155662-50-3
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C72745
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DTXSID20935264
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CHEMBL2110878
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GG-70
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9937952
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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