conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00876

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.

cpd00876


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XVDX Doxorubicin
Identification
ConjuPepDB ID

cpd00876

Smiles
Inchi Key

InChIKey=LYVKBYBWMNQDPI-GIZCJOENSA-N

Molecular weight

961.363

Molecular formula

C52H55N3O15

Chemical name
Peptide information
Sequence (one letter)

XVDX

Length

4

Peptide name

dipeptide

External ID
CAS number

791111-74-5

Other information
Application

Synthesis

Additional function

Increase solubility of drug molecules and/or to allow better formulation properties

Conjugate type

amide

Linker

no

Small molecule

Doxorubicin

Small molecule CAS

23214-92-8

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

DMSO-d6 or acetone-d6

Calculated properties
LogP

5.21532

Rotatable bonds

13

H bond donor

7

H bond acceptor

14

Polar surface area (PSA)

267.79000

Citations
ID Title Year Authors Journal DOI

Cpdart0125

Application of the Dipeptidyl Peptidase IV (DPPIV/CD26) Based Prodrug Approach to Different Amine-Containing Drugs

2010

Diez-Torrubia, Alberto; Garcia-Aparicio, Carlos; Cabrera, Silvia; De Meester, Ingrid; Balzarini, Jan; Camarasa, Maria-Jose; Velazquez, Sonsoles

Journal of Medicinal Chemistry

..