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View Conjugates details

ConjuPepDB ID: cpd00454

Chemical structure


molecule
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cpd00454


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XHWSHDWKPG L-Pyroglutamic acid
Identification
ConjuPepDB ID

cpd00454

Smiles
Inchi Key

InChIKey=CKAZAFTXQPBKJJ-RJEWGMQKSA-N

Molecular weight

1448.6

Molecular formula

C65H84N20O17S

Chemical name
Peptide information
Sequence (one letter)

XHWSHDWKPG

Length

10

Peptide name

N/A

External ID
CAS number

1428670-72-7

Other information
Application

Anticancer therapy, breast cancer cells (MCF-7)

Additional function

Improve effect and stability

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

L-Pyroglutamic acid

Small molecule CAS

98-79-3

Small molecule structure

Calculated properties
LogP

-8.90735

Rotatable bonds

39

H bond donor

19

H bond acceptor

20

Polar surface area (PSA)

556.43000

Citations
ID Title Year Authors Journal DOI

Cpdart0079

Synthesis, enzymatic stability and in vitro cytostatic effect of Daunorubicin-GnRH-III derivative dimers

2013

Schreier, Verena Natalie; Mezo, Gabor; Orban, Erika; Duerr, Claudia; Marquardt, Andreas; Manea, Marilena

Bioorganic & Medicinal Chemistry Letters

..