conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00196

Chemical structure


molecule
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cpd00196


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

cpd00196

Smiles
Inchi Key

InChIKey=LGDGFRBHYDACSY-GQEIFZQBSA-N

Molecular weight

1932.33

Molecular formula

C99H169N25O14

Chemical name
Peptide information
Sequence (one letter)

XKKKLFKKILKKL

Length

13

Peptide name

cell-penetrating peptide BP20

External ID
CAS number

1922111-41-8

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

-0.31195

Rotatable bonds

71

H bond donor

21

H bond acceptor

25

Polar surface area (PSA)

635.79000

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

..