General
Preferred name
CINOBUFAGIN
Synonyms
Cinobufagine ()
P&D ID
PD011959
CAS
470-37-1
36121-84-3
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Cinobufagin is an anticancer agent that can be secreted by the Asiatic toad Bufo gargarizans. Cinobufagin induces the cell cycle arrests in the G1 phase or G2/M phase, leading to apoptosis in cancer cells. Cinobufagin inhibits tumor growth in melanoma and glioblastoma multiforme xenograft mouse models[1][2][3].
Cell lines
13
Organisms
0
Compound Sets
5
AdooQ Bioactive Compound Library
A12032
Cayman Chemical Bioactives
19844
MedChem Express Bioactive Compound Library
HY-N0421
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
cinobufagin
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
442.24
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
6
Aromatic Ring Count
1
cLogP
3.8
TPSA
89.27
Fraction CSP3
0.77
Chiral centers
10.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Cinobufagin, SMUT
Na+/K+-ATPase Inhibitors
Chloride Channel Activators
Target
Apoptosis
Akt,Apoptosis related,ATM/ATR,Bcl-2,Caspase,CDK,Chk,PI3K
Source data