conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00553

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.

cpd00553


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XHSSKLQX 4-aminocyclophosphamide prodrug
Identification
ConjuPepDB ID

cpd00553

Smiles
Inchi Key

InChIKey=LAKBVJRSUMTZMK-NEOOQPIPSA-N

Molecular weight

1055.41

Molecular formula

C40H68Cl2N13O14P

Chemical name
Peptide information
Sequence (one letter)

XHSSKLQX

Length

8

Peptide name

hexapeptide

External ID
CAS number

1486478-94-7

Other information
Application

Anticancer therapy, prostate (prodrug))

Additional function

Selective activation by prostate-specific antigen (PSA)

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

4-aminocyclophosphamide prodrug

Small molecule CAS

1486479-12-2

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

CDCl3

Calculated properties
LogP

-8.58143

Rotatable bonds

34

H bond donor

14

H bond acceptor

15

Polar surface area (PSA)

420.82000

Citations
ID Title Year Authors Journal DOI

Cpdart0087

Peptide conjugates of 4-aminocyclophosphamide as prodrugs of phosphoramide mustard for selective activation by prostate-specific antigen (PSA)

2013

Jiang, Yongying; Hu, Longqin

Bioorganic & Medicinal Chemistry

..