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ConjuPepDB ID: cpd00456

Chemical structure


molecule
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cpd00456


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XHWKHDWKPG N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-(triphenylmethyl)-L-histidine
Identification
ConjuPepDB ID

cpd00456

Smiles
Inchi Key

InChIKey=QEBUPRCQAKHJQF-KNYAFAPLSA-N

Molecular weight

2338.15

Molecular formula

C136H151N19O18

Chemical name
Peptide information
Sequence (one letter)

XHWKHDWKPG

Length

10

Peptide name

N/A

External ID
CAS number

1428670-70-5

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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-(triphenylmethyl)-L-histidine

Small molecule CAS

109425-51-6

Small molecule structure

Calculated properties
LogP

14.78758

Rotatable bonds

56

H bond donor

12

H bond acceptor

18

Polar surface area (PSA)

490.83000

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

..