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View Conjugates details

ConjuPepDB ID: cpd00486

Chemical structure


molecule
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cpd00486


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XRKI 4-[(Z)-[2,4-Dioxo-3-(phenylmethyl)-5-thiazolidinylidene]methyl]benzoic acid
Identification
ConjuPepDB ID

cpd00486

Smiles
Inchi Key

InChIKey=UMRKOZQUSOGWEX-MIZNEQLMSA-N

Molecular weight

622.269

Molecular formula

C30H38N8O5S

Chemical name
Peptide information
Sequence (one letter)

XRKI

Length

4

Peptide name

N/A

External ID
CAS number

1474052-86-2

Other information
Application

Antimicrobial, antiviral, dengue virus protease inhibitor

Pharmacological class

antimicrobial, antiviral

Conjugate type

amide

Linker

no

Small molecule

4-[(Z)-[2,4-Dioxo-3-(phenylmethyl)-5-thiazolidinylidene]methyl]benzoic acid

Small molecule CAS

1474052-88-4

Small molecule structure

Calculated properties
LogP

0.33747

Rotatable bonds

16

H bond donor

6

H bond acceptor

9

Polar surface area (PSA)

229.09000

Citations
ID Title Year Authors Journal DOI

Cpdart0080

Thiazolidinone-Peptide Hybrids as Dengue Virus Protease Inhibitors with Antiviral Activity in Cell Culture

2013

Nitsche, Christoph; Schreier, Verena N.; Behnam, Mira A. M.; Kumar, Anil; Bartenschlager, Ralf; Klein, Christian D.

Journal of Medicinal Chemistry

..