General
Preferred name
IPRODIONE
Synonyms
DNDI1729589 ()
P&D ID
PD158013
CAS
36734-19-7
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
0
Organisms
1
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
329.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
1
cLogP
2.88
TPSA
69.72
Fraction CSP3
0.31
Chiral centers
0.0
Largest ring
6.0
QED
0.85
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Vitamin D Related/Nuclear Receptor
Target
Androgen Receptor
Fungal
Reactive Oxygen Species
Source data
