conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00194

Chemical structure


molecule
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cpd00194


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
KKLFKKILKKLK (2S,2S′)-1,1′-bis(pyrid-2-ylmethyl)-2,2′-bipyrrolidine ((S,S′)-BPBP)
Identification
ConjuPepDB ID

cpd00194

Smiles
Inchi Key

InChIKey=VSCGFZCMAFHRLV-LMUNYELJSA-N

Molecular weight

2277.5

Molecular formula

C117H192N28O18

Chemical name
Peptide information
Sequence (one letter)

KKLFKKILKKLK

Length

12

Peptide name

cell-penetrating peptide BP18

External ID
CAS number

1922111-43-0

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

(2S,2S′)-1,1′-bis(pyrid-2-ylmethyl)-2,2′-bipyrrolidine ((S,S′)-BPBP)

Small molecule CAS

1922111-47-4

Small molecule structure

Calculated properties
LogP

0.00200

Rotatable bonds

81

H bond donor

24

H bond acceptor

28

Polar surface area (PSA)

726.17000

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

..