conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00635

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd00635


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
DGGDGGDGGDGPLGLAGRRRRRRRRRC succinimide Doxorubicin
Identification
ConjuPepDB ID

cpd00635

Smiles
Inchi Key

InChIKey=UXRTWRPPKHIODT-PEENLXOHSA-N

Molecular weight

3587.69

Molecular formula

C145H230N56O50S

Chemical name
Peptide information
Sequence (one letter)

DGGDGGDGGDGPLGLAGRRRRRRRRRC

Length

27

Peptide name

activable cell-penetrating peptide (ACCP)

External ID
CAS number

1427354-59-3

Other information
Application

Anticancer therapy

Additional function

Targeting matrix metalloproteinase-2 and -9 (MMP-2/9)

Conjugate type

sulfide

Linker

N/A

Linker Type

succinimide

Small molecule

Doxorubicin

Small molecule CAS

23214-92-8

Small molecule structure

Structure method

1H-NMR

NMR solvent

DMSO-d6

Calculated properties
LogP

-27.52999

Rotatable bonds

112

H bond donor

58

H bond acceptor

78

Polar surface area (PSA)

1778.96000

Citations
ID Title Year Authors Journal DOI

Cpdart0100

Enhancing cellular uptake of activable cell-penetrating peptide-doxorubicin conjugate by enzymatic cleavage

2012

Shi, Nian-Qiu; Gao, Wei; Xiang, Bai; Qi, Xian-Rong

International Journal of Nanomedicine

..