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ConjuPepDB ID: cpd00360

Chemical structure


molecule
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cpd00360


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

cpd00360

Smiles
Inchi Key

InChIKey=KPXRWIBQWFVMKR-NKFDFKHDNA-L

Molecular weight

1146.47

Molecular formula

C42H69N11O12[O-]2[Pt+2]

Chemical name
Peptide information
Sequence (one letter)

XLIVAGD

Length

7

Peptide name

hexapeptide

External ID
CAS number

1616793-08-8

Other information
Application

Anticancer therapy, breast cancer

Additional function

Localization, lower systemic toxicity

Pharmacological class

anticancer

Conjugate type

amide

Linker

N/A

Linker Type

triazole

Small molecule

Oxaliplatin

Small molecule CAS

61825-94-3

Small molecule structure

Calculated properties
LogP

-9.38684

Rotatable bonds

24

H bond donor

10

H bond acceptor

16

Polar surface area (PSA)

365.73000

Citations
ID Title Year Authors Journal DOI

Cpdart0067

Ligation of anti-cancer drugs to self-assembling ultrashort peptides by click chemistry for localized therapy

2014

Reithofer, Michael R.; Chan, Kiat-Hwa; Lakshmanan, Anupama; Lam, Dang Hoang; Mishra, Archana; Gopalan, Began; Joshi, Mangesh; Wang, Shu; Hauser, Charlotte A. E.

Chemical Science

..