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View Conjugates details

ConjuPepDB ID: cpd00567

Chemical structure


molecule
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cpd00567


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XVVXX β-D-Galactopyranoside derivative
Identification
ConjuPepDB ID

cpd00567

Smiles
Inchi Key

InChIKey=CPXMYXHWKCUWJY-DTMDBZKCSA-N

Molecular weight

1280.63

Molecular formula

C64H92N6O21

Chemical name
Peptide information
Sequence (one letter)

XVVXX

Length

5

Peptide name

dipeptide

External ID
CAS number

1418735-54-2

Other information
Application

Anticancer therapy

Additional function

Targeting beta-galactosidase expressing cells

Conjugate type

carbamate

Linker

no

Small molecule

β-D-Galactopyranoside derivative

Small molecule CAS

1313026-28-6

Small molecule structure

Calculated properties
LogP

5.17644

Rotatable bonds

36

H bond donor

3

H bond acceptor

16

Polar surface area (PSA)

336.53000

Citations
ID Title Year Authors Journal DOI

Cpdart0091

The First Generation of β‐Galactosidase‐Responsive Prodrugs Designed for the Selective Treatment of Solid Tumors in Prodrug Monotherapy

2012

Legigan, Thibaut; Clarhaut, Jonathan; Tranoy-Opalinski, Isabelle; Monvoisin, Arnaud; Renoux, Brigitte; Thomas, Mikael; Le Pape, Alain; Lerondel, Stephanie; Papot, Sebastien

Angewandte Chemie, International Edition

..