conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00357

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd00357


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XIVK triazole Propiolic acid
Identification
ConjuPepDB ID

cpd00357

Smiles
Inchi Key

InChIKey=PMZHSOILFUFMPT-ZJBREJRPSA-L

Molecular weight

917.409

Molecular formula

C33H58N10O6[O-]2[Pt+2]

Chemical name
Peptide information
Sequence (one letter)

XIVK

Length

4

Peptide name

tripeptide

External ID
CAS number

1616793-11-3

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

Propiolic acid

Small molecule CAS

471-25-0

Small molecule structure

Calculated properties
LogP

-8.82590

Rotatable bonds

18

H bond donor

7

H bond acceptor

11

Polar surface area (PSA)

272.94000

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

..