conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00918

Chemical structure


molecule
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cpd00918


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
EXGEVNXVAEFXXXXXD PEG Cholestanol
Identification
ConjuPepDB ID

cpd00918

Smiles
Inchi Key

InChIKey=USCJWTGYSJKZBD-ZEVFTZAUSA-O

Molecular weight

3345.95

Molecular formula

C168H270N23O45[O+]

Chemical name
Peptide information
Sequence (one letter)

EXGEVNXVAEFXXXXXD

Length

17

Peptide name

oligopeptide

External ID
CAS number

867062-93-9

Other information
Application

Alzheimer’s disease therapy, beta-secretase inhibition

Conjugate type

amide

Linker

N/A

Linker Type

PEG

Small molecule

Cholestanol

Small molecule CAS

80-97-7

Small molecule structure

Structure method

1H and 13C NMR, COSY, HMBC, HSQC, ROESY

NMR solvent

CDCl3 or CD3OD

Calculated properties
LogP

-0.88487

Rotatable bonds

128

H bond donor

22

H bond acceptor

48

Polar surface area (PSA)

925.31000

Citations
ID Title Year Authors Journal DOI

Cpdart0129

Structural Design, Solid‐Phase Synthesis and Activity of Membrane‐Anchored β‐Secretase Inhibitors on Aβ Generation from Wild‐Type and Swedish‐Mutant APP

2010

Schieb, Heinke; Weidlich, Sebastian; Schlechtingen, Georg; Linning, Philipp; Jennings, Gary; Gruner, Margit; Wiltfang, Jens; Klafki, Hans-Wolfgang; Knoelker, Hans-Joachim

Chemistry - A European Journal

..