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ConjuPepDB ID: cpd00234

Chemical structure


molecule
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cpd00234


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
RAKRRMEY coumarin−triazole derivative 6
Identification
ConjuPepDB ID

cpd00234

Smiles
Inchi Key

InChIKey=BSRQIOHNQNKZPS-VUSFATCJSA-N

Molecular weight

1445.75

Molecular formula

C64H99N23O14S

Chemical name
Peptide information
Sequence (one letter)

RAKRRMEY

Length

8

Peptide name

Ubiquicidin (UBI) 31-38

External ID
CAS number

1644441-61-1

Other information
Application

Antimicrobial, antifungal (Cryptococcus)

Additional function

Increased efficacy

Pharmacological class

antimicrobial, antifungal

Conjugate type

amide

Linker

no

Small molecule

coumarin−triazole derivative 6

Small molecule CAS

817638-71-4

Small molecule structure

Calculated properties
LogP

-7.67040

Rotatable bonds

47

H bond donor

18

H bond acceptor

26

Polar surface area (PSA)

612.89000

Citations
ID Title Year Authors Journal DOI

Cpdart0052

Synthesis of a New Peptide-Coumarin Conjugate: A Potential Agent against Cryptococcosis

2015

Ferreira, Soraya Z.; Carneiro, Hellem C.; Lara, Hugo A.; Alves, Rosemeire B.; Resende, Jarbas M.; Oliveira, Heloisa M.; Silva, Luciana M.; Santos, Daniel A.; Freitas, Rossimiriam P.

ACS Medicinal Chemistry Letters

..