conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00201

Chemical structure


molecule
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cpd00201


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
KKLFKKILKKL 1,4-dimethyl-7-(2-pyridylmethyl)-1,4,7-triazacyclononane (Me2PyTACN)
Identification
ConjuPepDB ID

cpd00201

Smiles
Inchi Key

InChIKey=IGYALVHNDPSLIX-FJYLPCFISA-N

Molecular weight

1659.18

Molecular formula

C84H150N22O12

Chemical name
Peptide information
Sequence (one letter)

KKLFKKILKKL

Length

11

Peptide name

cell-penetrating peptide BP25

External ID
CAS number

1922111-36-1

Other information
Application

Anticancer therapy, pro-oxidant

Additional function

Chelate intracellular iron in cancer cells

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

1,4-dimethyl-7-(2-pyridylmethyl)-1,4,7-triazacyclononane (Me2PyTACN)

Small molecule CAS

1818904-04-9

Small molecule structure

Calculated properties
LogP

-0.44755

Rotatable bonds

59

H bond donor

18

H bond acceptor

22

Polar surface area (PSA)

541.92000

Citations
ID Title Year Authors Journal DOI

Cpdart0043

Delivering aminopyridine ligands into cancer cells through conjugation to the cell-penetrating peptide BP16

2016

Soler, M.; Gonzalez-Bartulos, M.; Figueras, E.; Massaguer, A.; Feliu, L.; Planas, M.; Ribas, X.; Costas, M.

Organic & Biomolecular Chemistry

..