conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00427

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd00427


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XAKT 2-chloro-1-(N-methylcarbamate)-benzenemethanol
Identification
ConjuPepDB ID

cpd00427

Smiles
Inchi Key

InChIKey=NMUUGFLQWASOPN-HKTJVKLFSA-N

Molecular weight

656.319

Molecular formula

C31H49ClN4O9

Chemical name
Peptide information
Sequence (one letter)

XAKT

Length

4

Peptide name

tripeptide

External ID
CAS number

1620659-56-4

Other information
Application

Synthesis, molecular probes

Additional function

Fat-accumulation inhibition

Pharmacological class

other

Conjugate type

carbamate

Linker

no

Small molecule

2-chloro-1-(N-methylcarbamate)-benzenemethanol

Small molecule CAS

2797-35-5

Small molecule structure

Calculated properties
LogP

3.40329

Rotatable bonds

18

H bond donor

3

H bond acceptor

7

Polar surface area (PSA)

166.02000

Citations
ID Title Year Authors Journal DOI

Cpdart0074

Design, synthesis, and evaluation of derivatives of the fat-accumulation inhibitor ternatin: toward ternatin molecular probes

2014

Kawazoe, Yoshinori; Tanaka, Yoko; Omura, Sachikazu; Uemura, Daisuke

Tetrahedron Letters

..