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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H51N5O4
Molecular Weight 533.7463
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DROXINAVIR

SMILES

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=ICOKEKQSBZSLIB-JBRSBNLGSA-N
InChI=1S/C29H51N5O4/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)/t22-,23+,25+/m0/s1

HIDE SMILES / InChI

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

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

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:01:45 GMT 2023
Edited
by admin
on Sat Dec 16 17:01:45 GMT 2023
Record UNII
3CF21QCB9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DROXINAVIR
INN  
INN  
Official Name English
3-TERT-BUTYL-1-((2R,3S)-3-((2S)-3,3-DIMETHYL-2-(2-(METHYLAMINO)ACETAMIDO)BUTYRAMIDO)-2-HYDROXY-4-PHENYLBUTYL)-1-ISOPENTYLUREA
Systematic Name English
L-VALINAMIDE, N-METHYLGLYCYL-N-(3-((((1,1-DIMETHYLETHYL)AMINO)CARBONYL)(3-METHYLBUTYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-METHYL
Common Name English
droxinavir [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C97366
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
Code System Code Type Description
WIKIPEDIA
Droxinavir
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
SMS_ID
100000081011
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID30166769
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
INN
7412
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110878
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
PUBCHEM
465403
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
FDA UNII
3CF21QCB9J
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
EVMPD
SUB06421MIG
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
CAS
159910-86-8
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
NCI_THESAURUS
C73145
Created by admin on Sat Dec 16 17:01:45 GMT 2023 , Edited by admin on Sat Dec 16 17:01:45 GMT 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY