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View Conjugates details

ConjuPepDB ID: cpd00976

Chemical structure


molecule
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cpd00976


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
QACKGKIQALCENG Carbamic acid, N-[(3α,5β,7α,12α)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester
Identification
ConjuPepDB ID

cpd00976

Smiles
Molecular weight

3193.61

Molecular formula

C175H224N22O31S2

Chemical name
Peptide information
Sequence (one letter)

QACKGKIQALCENG

Length

14

Peptide name

N/A

External ID
CAS number

1190704-98-3

Other information
Application

Anticancer therapy

Additional function

Targeting

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

Carbamic acid, N-[(3α,5β,7α,12α)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester

Small molecule CAS

1529814-32-2

Structure method

1H NMR, HPLC

Calculated properties
LogP

14.83262

Rotatable bonds

69

H bond donor

23

H bond acceptor

26

Polar surface area (PSA)

771.78000

Citations
ID Title Year Authors Journal DOI

cpdart0143

Towards the conformational mimicry of the measles virus HNE loop: design, synthesis and biological evaluation of a cyclic bile acid-peptide conjugate

2009

Bode, Catherine A.; Bechet, Tom; Prodhomme, Emmanuel; Gheysen, Katelijne; Gregoir, Pieter; Martins, Jose C.; Muller, Claude P.; Madder, Annemieke

Organic & Biomolecular Chemistry

..