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View Conjugates details

ConjuPepDB ID: cpd00432

Chemical structure


molecule
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cpd00432


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

cpd00432

Smiles
Inchi Key

InChIKey=QCORKNYDYASLRL-GFOONUJBSA-N

Molecular weight

994.587

Molecular formula

C49H83ClN8O11

Chemical name
Peptide information
Sequence (one letter)

AKTIALL

Length

7

Peptide name

modified ternatin

External ID
CAS number

1620659-49-5

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

1.78890

Rotatable bonds

30

H bond donor

6

H bond acceptor

11

Polar surface area (PSA)

247.33000

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

..