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ConjuPepDB ID: cpd00705

Chemical structure


molecule
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cpd00705


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XLFX 4-Amino-7-chloroquinoline
Identification
ConjuPepDB ID

cpd00705

Smiles
Inchi Key

InChIKey=CTMQPVPWJJAEIJ-OTGPHFSISA-N

Molecular weight

660.15

Molecular formula

C34H34BrClN4O3

Chemical name
Peptide information
Sequence (one letter)

XLFX

Length

4

Peptide name

dipeptide

External ID
CAS number

1392506-20-5

Other information
Application

Antimicrobial therapy, antimalarial

Additional function

Dua action, targeting at blood-stage

Conjugate type

amide

Linker

no

Small molecule

4-Amino-7-chloroquinoline

Small molecule CAS

1198-40-9

Small molecule structure

Small molecule 2

trans-4-bromocinnamic acid

Small molecule CAS 2

17916-60-8

Small molecule structure 2

Structure method

NMR

NMR solvent

DMSO-d6

Calculated properties
LogP

7.38281

Rotatable bonds

12

H bond donor

3

H bond acceptor

4

Polar surface area (PSA)

100.19000

Citations
ID Title Year Authors Journal DOI

Cpdart0110

Novel cinnamic acid/4-aminoquinoline conjugates bearing non-proteinogenic amino acids: Towards the development of potential dual action antimalarials

2012

Perez, Bianca C.; Teixeira, Catia; Figueiras, Marta; Gut, Jiri; Rosenthal, Philip J.; Gomes, Jose R. B.; Gomes, Paula

European Journal of Medicinal Chemistry

..