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ConjuPepDB ID: cpd00062

Chemical structure


molecule
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cpd00062


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
LFMSCRTWKHYEQ triazole Camptothecin
Identification
ConjuPepDB ID

cpd00062

Smiles
Inchi Key

InChIKey=GKHKMBKMZNAEND-CJALNXIVSA-N

Molecular weight

2495.03

Molecular formula

C116H150N28O29S3

Chemical name
Peptide information
Sequence (one letter)

LFMSCRTWKHYEQ

Length

13

Peptide name

model peptide

External ID
CAS number

2247055-89-4

Other information
Application

Synthesis, cysteine-Selective conjugation to prepare antibody-drog conjugates

Additional function

Posible applications as various imaging and therapeutic conjugates

Pharmacological class

anticancer

Conjugate type

sulfide

Linker

N/A

Linker Type

triazole

Small molecule

Camptothecin

Small molecule CAS

7689-03-04

Calculated properties
LogP

-8.36158

Rotatable bonds

72

H bond donor

25

H bond acceptor

36

Polar surface area (PSA)

880.71000

Citations
ID Title Year Authors Journal DOI

Cpdart0030

N-Methyl-N-phenylvinylsulfonamides for Cysteine-Selective Conjugation

2018

Huang, Rong; Li, Zhihong; Sheng, Yao; Yu, Jianghui; Wu, Yue; Zhan, Yuexiong; Chen, Hongli; Jiang, Biao

Organic Letters

..