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View Conjugates details

ConjuPepDB ID: cpd00431

Chemical structure


molecule
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cpd00431


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

cpd00431

Smiles
Inchi Key

InChIKey=VRCMAZRAGQEAKU-GFOONUJBSA-N

Molecular weight

976.576

Molecular formula

C49H81ClN8O10

Chemical name
Peptide information
Sequence (one letter)

[KTIALLA]

Length

9

Peptide name

modified ternatin

External ID
CAS number

1620659-50-8

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

4.09495

Rotatable bonds

16

H bond donor

4

H bond acceptor

9

Polar surface area (PSA)

218.31000

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

..