conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00628

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.

cpd00628


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XVAR Caffeic acid
Identification
ConjuPepDB ID

cpd00628

Smiles
Inchi Key

InChIKey=ZEQBZISUOKCYTE-RFUYNDQBSA-N

Molecular weight

506.249

Molecular formula

C23H34N6O7

Chemical name
Peptide information
Sequence (one letter)

XVAR

Length

4

Peptide name

melanocortin receptor 1 (MC1R) antagonist peptide

External ID
CAS number

1433981-76-0

Other information
Application

Synthesis, melanogenesis inhibition (melanocortin receptor 1 (MC1R) anatonists)

Additional function

Possible treatment for hyperpigmentation,

Conjugate type

amide

Linker

no

Small molecule

Caffeic acid

Small molecule CAS

331-39-5

Small molecule structure

Calculated properties
LogP

-1.80344

Rotatable bonds

13

H bond donor

8

H bond acceptor

10

Polar surface area (PSA)

229.46000

Citations
ID Title Year Authors Journal DOI

Cpdart0099

Synthesis of small molecule-peptide conjugates as potential whitening agents

2012

Lee, Hye-Suk; Shin, Kyong-Hoon; Ryu, Geun-Seok; Chi, Gyeong-Yup; Cho, In-Shik; Kim, Han-Young

Bulletin of the Korean Chemical Society

..