General
Preferred name
CINOBUFOTALIN
Synonyms
NSC-90326 ()
Cinobufagin metabolite m-2 ()
P&D ID
PD011930
CAS
1108-68-5
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 1
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 Cinobufotalin is one of the bufadienolides prepared from toad venom. It has anticancer activity. (BOC Sciences Bioactive Compounds)
Cell lines
2
Organisms
0
Compound Sets
6
BOC Sciences Bioactive Compounds
cinobufotalin-cas-1108-68-5-item-84-81659
Cayman Chemical Bioactives
19845
ChEMBL Drugs
CHEMBL517341
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-N0880
TargetMol Bioactive Compound Library
T4A2399
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
458.23
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
6
Aromatic Ring Count
1
cLogP
2.91
TPSA
109.5
Fraction CSP3
0.77
Chiral centers
10.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Cytoskeletal Signaling
PI3K/Akt/mTOR signaling
Immunology/Inflammation
Membrane Transporter/Ion Channel
Neuroscience
Target
Akt
IL Receptor
MRP1
P-gp
MOA
anticancer agent
Source data