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View Conjugates details

ConjuPepDB ID: cpd01122

Chemical structure


molecule
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cpd01122


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
AIYKYY 4-amino-α-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid
Identification
ConjuPepDB ID

cpd01122

Smiles
Molecular weight

1127.52

Molecular formula

C57H69N13O12

Chemical name
Peptide information
Sequence (one letter)

AIYKYY

Length

6

Peptide name

N/A

External ID
CAS number

957047-39-1

Other information
Application

Antitiumor therapy, kinase inhibition

Additional function

improved Src kinase inhibition

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

4-amino-α-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid

Small molecule CAS

957047-66-4

Structure method

1H and 13C NMR, HPLC

NMR solvent

CDCl3

Calculated properties
LogP

-0.42248

Rotatable bonds

29

H bond donor

13

H bond acceptor

17

Polar surface area (PSA)

397.33000

Citations
ID Title Year Authors Journal DOI

cpdart0175

Synthesis and evaluation of 3-phenylpyrazolo[3,4-d]pyrimidine-peptide conjugates as Src kinase inhibitors

2007

Kumar, Anil; Wang, Yuehao; Lin, Xiaofeng; Sun, Gongqin; Parang, Keykavous

ChemMedChem

..