conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00753

Chemical structure


molecule
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cpd00753


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XTFW beta-carboline derivative
Identification
ConjuPepDB ID

cpd00753

Smiles
Inchi Key

InChIKey=QJEBBPCCTGDGOX-BEOBLNGUSA-N

Molecular weight

650.285

Molecular formula

C36H38N6O6

Chemical name
Peptide information
Sequence (one letter)

XTFW

Length

4

Peptide name

tripeptide

External ID
CAS number

1310735-87-5

Other information
Application

Anti-inflammatoric- and analgesic therapy

Additional function

Analgesic activity and protective effect against mesenteric I/R injury in the rat

Conjugate type

amide

Linker

no

Small molecule

beta-carboline derivative

Small molecule CAS

66863-43-2

Small molecule structure

Structure method

1H-NMR

NMR solvent

CDCl3

Calculated properties
LogP

-0.01010

Rotatable bonds

12

H bond donor

8

H bond acceptor

7

Polar surface area (PSA)

188.44000

Citations
ID Title Year Authors Journal DOI

Cpdart0118

Novel β-carboline-tripeptide conjugates attenuate mesenteric ischemia/reperfusion injury in the rat

2011

Bi, Wei; Bi, Yue; Xue, Ping; Zhang, Yanrong; Gao, Xiang; Wang, Zhibo; Li, Meng; Baudy-Floc'h, Michele; Ngerebara, Nathaniel; Li, Xiaoxu; Gibson, K. Michael; Bi, Lanrong

European Journal of Medicinal Chemistry

..