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ConjuPepDB ID: cpd00033

Chemical structure


molecule
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cpd00033


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
ELVRRFRRFFRRLRRCVLL Pteroic acid
Identification
ConjuPepDB ID

cpd00033

Smiles
Inchi Key

InChIKey=VOBVMROICIFTLC-DXBFVHEYSA-N

Molecular weight

2883.65

Molecular formula

C131H210N50O23S

Chemical name
Peptide information
Sequence (one letter)

ELVRRFRRFFRRLRRCVLL

Length

19

Peptide name

lytic peptides

External ID
CAS number

2305943-22-8

Other information
Application

Anticancer therapy, MCF-7 cells

Additional function

Targeting folate (FA) receptor and overcome drug resistance

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

Pteroic acid

Small molecule CAS

119-24-4

Small molecule structure

NMR solvent

DMSO-d6

Calculated properties
LogP

-6.54670

Rotatable bonds

94

H bond donor

45

H bond acceptor

53

Polar surface area (PSA)

1243.78000

Citations
ID Title Year Authors Journal DOI

cpdart0028

Synthesis and anti-cancer evaluation of folic acid-peptide- paclitaxel conjugates for addressing drug resistance

2019

Dai, Yuxuan; Cai, Xingguang; Bi, Xinzhou; Liu, Chunxia; Yue, Na; Zhu, Ying; Zhou, Jiaqi; Fu, Mian; Huang, Wenlong; Qian, Hai

European Journal of Medicinal Chemistry

..