Details of the Drug

General Information of Drug (ID: DM6EJVF)

Drug Name

Droxinavir hydrochloride

Synonyms

SC-55389; SC-55389A

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

570.2

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

15

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C29H52ClN5O4
IUPAC Name: (2S)-N-[(2S,3R)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
Canonical SMILES: CC(C)CCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)(C)C)NC(=O)CNC)O)C(=O)NC(C)(C)C.Cl
InChI: 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
InChIKey: IYKXRORSPVZSHP-ZELIPEIJSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Protease (HIV PR)	TT5FNQT	POL_HV1B1	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004768)
2	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. Antimicrob Agents Chemother. 1997 Mar;41(3):515-22.