conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00322

Chemical structure


molecule
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cpd00322


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
EEEE Ibuprofen
Identification
ConjuPepDB ID

cpd00322

Smiles
Inchi Key

InChIKey=IFGPWXOSPGWPQJ-RTHFNOKISA-N

Molecular weight

1172.54

Molecular formula

C68H76N4O14

Chemical name
Peptide information
Sequence (one letter)

EEEE

Length

4

Peptide name

glutamic acid oligopeptide

External ID
CAS number

1966935-14-7

Other information
Application

Synthesis,peptide-NSAID conjugates prodrugs, preliminary studies for hydroxyapatite binding

Additional function

Bone targeting drugs delivery

Pharmacological class

anti-inflammatoric

Conjugate type

amide

Linker

no

Small molecule

Ibuprofen

Small molecule CAS

15687-27-1

Small molecule structure

Calculated properties
LogP

9.63672

Rotatable bonds

39

H bond donor

4

H bond acceptor

9

Polar surface area (PSA)

247.90000

Citations
ID Title Year Authors Journal DOI

Cpdart0064

Synthesis and Preliminary Evaluation of Novel Bone-targeting NSAIDs Prodrugs based on Glutamic Acid Oligopeptides

2015

Zhao, Yi; He, Dongsheng; Ma, Lifang; Guo, Li

Letters in Drug Design & Discovery

..