General
Preferred name
CONVALLATOXIN
Synonyms
P&D ID
PD132922
CAS
508-75-8
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
2
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
550.28
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
6
Aromatic Ring Count
0
cLogP
0.75
TPSA
162.98
Fraction CSP3
0.86
Chiral centers
13.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Cardiac glycoside
Pathway
Cell Cycle/DNA Damage
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
NF-κB
Vitamin D Related/Nuclear Receptor
Target
P-glycoprotein
PPAR
Source data
