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View Conjugates details

ConjuPepDB ID: cpd01275

Chemical structure


molecule
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cpd01275


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XII ethylendiamine 9-Aminoacridine
Identification
ConjuPepDB ID

cpd01275

Smiles
Inchi Key

InChIKey=SGKRNEWFOKEMSJ-UHFFFAOYSA-N

Molecular weight

676.431

Molecular formula

C38H56N6O5

Chemical name
Peptide information
Sequence (one letter)

XII

Length

3

Peptide name

tripeptide

External ID
CAS number

910240-18-5

Other information
Application

Synthesis

Additional function

DNA binding affinity

Pharmacological class

other

Conjugate type

amide

Linker

N/A

Linker Type

ethylendiamine

Small molecule

9-Aminoacridine

Small molecule CAS

90-45-9

Structure method

1H NMR, HPLC

NMR solvent

DMSO-d6

Calculated properties
LogP

5.57474

Rotatable bonds

20

H bond donor

5

H bond acceptor

6

Polar surface area (PSA)

150.55000

Citations
ID Title Year Authors Journal DOI

cpdart0192

New peptide conjugates with 9-aminoacridine: synthesis and binding to DNA

2006

Sebestik, Jaroslav; Stibor, Ivan; Hlavacek, Jan

Journal of Peptide Science

..