conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00049

Chemical structure


molecule
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cpd00049


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XAA glycol acid Curcumin
Identification
ConjuPepDB ID

cpd00049

Smiles
Inchi Key

InChIKey=KYUYTDJTAJOOPJ-ZJPCBELASA-N

Molecular weight

582.221

Molecular formula

C30H34N2O10

Chemical name
Peptide information
Sequence (one letter)

XAA

Length

3

Peptide name

dipeptide

External ID
CAS number

2375240-24-5

Other information
Application

Anticancer therapy, HepG2 and SMMC-7721 cells

Additional function

Improved penetration (PepT1 mediated transport) and improve solubility

Pharmacological class

anticancer

Conjugate type

amide

Linker

N/A

Linker Type

glycol acid

Small molecule

Curcumin

Small molecule CAS

458-37-7

Small molecule structure

Structure method

1H- and 13C NMR

NMR solvent

DMSO-d6

Calculated properties
LogP

2.45577

Rotatable bonds

15

H bond donor

4

H bond acceptor

9

Polar surface area (PSA)

169.72000

Citations
ID Title Year Authors Journal DOI

Cpdart0029

Synthesis and biological evaluation of a novel series of curcumin-peptide derivatives as PepT1-mediated transport drugs

2019

Zhang, Jiyun; Wen, Hongmei; Shen, Fei; Wang, Xinzhi; Shan, Chenxiao; Chai, Chuan; Liu, Jian; Li, Wei

Bioorganic Chemistry

..